Results for:
chemical Classification: pyrazoles

5-methyl-1H-pyrazole

Mass-Spectra

Compound Details

Synonymous names
XKVUYEYANWFIJX-UHFFFAOYSA-N
3-Methylpyrazole
5-Methylpyrazole
3-Methylpyrazole, analytical reference material
3- Methylpyrazole
3-Methyl pyrazole
3-methyl-pyrazole
W7KU1RRO6U
3MePz;
ACMC-1BQB8
UNII-W7KU1RRO6U
AC1L253H
AC1Q2Q59
KSC490O8J
P809
3-methyl-pyrazole;
PubChem10442
PubChem13253
WT2131
ZLC0112
zlchem 293
CTK3J0784
CTK6C3062
M0564
3-Methyl-1H-pyrazole
3(5)-Methylpyrazole
3{5}-methylpyrazole
5-methyl-1H-pyrazole
ACT05681
AM62623
CM14373
LS20095
RP00359
STR06996
VP20086
A10479
3-Methylpyrazole, 97%
AC-2646
AK164481
BBL022413
CHEMBL3275944
CS-B0947
DTXSID3073260
EBD216626
HE027353
HE147636
HE147637
Jsp002658
PYRAZOLE, 3-METHYL-
Pyrazole, 5-methyl-
SBB004404
STK263690
SY002382
3-Me-Pz;
5-Methyl-1H-pyrazole, AldrichCPR
M-3697
Y-9151
ZINC4701702
1H-Pyrazole,5-methyl-
3-methyl-1-H-pyrazole
3-methyl-1H-pyrazole;
3(5)-methylpyrazole;
AB0017225
AJ-51998
AJ-51999
AK-47298
AN-13737
ANW-20930
BR-47298
CJ-12226
CJ-12227
KB-32857
SC-24946
SC-51462
TL8001003
TRA0059124
ALBB-006081
BB_SC-3908
MFCD00005240
MFCD08685900
ZINC04701702
ACN-000361
AM20120265
DB-028555
KB-197976
LS-128523
RTR-005721
ST24032653
ST45134029
TR-005721
TR-027647
3-Methyl-1,2-diazole
AKOS000265788
AKOS000311487
J-512822
Q-101885
S14-0572
1H-Pyrazole, 3-methyl-
1H-Pyrazole, 5-methyl-
3-(5)-methylpyrazole;
BB 0253954
BRN 0001454
FT-0084523
FT-0616176
FT-0679185
I14-14512
F9995-1460
Z1251171278
1453-58-3
MCULE-3441401586
EINECS 215-925-7
88054-14-2
Pyrazole, 3(or 5)-methyl-
1453-58-3 3-Methylpyrazole
MolPort-000-892-062
MolPort-018-511-667
77223-EP2272510A1
77223-EP2298753A1
77223-EP2308849A1
77223-EP2308850A1
5-23-05-00004 (Beilstein Handbook Reference)
InChI=1/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6
IUPAC name5-methyl-1H-pyrazole
SMILESCC1=CC=NN1
InchiInChI=1S/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6)
FormulaC4H6N2
PubChem ID15073
Molweight82.106
LogP0.48
Atoms12
Bonds12
H-bond Acceptor1
H-bond Donor1
Chemical Classificationpyrazoles nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al., 2003
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber Melanosporumn/an/a


3,4,5-trimethyl-1H-pyrazole

Mass-Spectra

Compound Details

Synonymous names
HUVAAOZUPLEYBH-UHFFFAOYSA-N
AC1L3D0A
U620SU1FNR
SCHEMBL12415
ARONIS23838
5490AE
UNII-U620SU1FNR
CTK5A3185
3,4,5-Trimethylpyrazole
STK396608
SBB047376
HE027939
AK124494
BBL005501
W-6325
ZINC2168425
DTXSID70203687
AJ-33860
AB1007612
AB0154530
ALBB-004482
MFCD00040246
ZINC02168425
DB-081744
TR-019459
KB-307698
ST45053236
AKOS000276353
Z50145985
FT-0679021
I14-27717
3,4,5-Trimethyl-1H-pyrazole
F3379-0319
MCULE-7986153155
5519-42-6
3,4,5-Trimethyl-1H-pyrazole, AldrichCPR
1H-Pyrazole,3,4,5-trimethyl-
3,4,5-Trimethyl-1H-pyrazole #
AB01333398-02
MolPort-001-914-791
1H-Pyrazole, 3,4,5-trimethyl-
IUPAC name3,4,5-trimethyl-1H-pyrazole
SMILESCC1=C(NN=C1C)C
InchiInChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
FormulaC6H10N2
PubChem ID138528
Molweight110.16
LogP1.12
Atoms18
Bonds18
H-bond Acceptor1
H-bond Donor1
Chemical ClassificationPyrazoles nitrogen compounds

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiPleurotus CystidiosusnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo


2,5-dimethyl-3-(3-methylbutyl)pyrazine

Mass-Spectra

Compound Details

Synonymous names
WWAYKGYKYHEINT-UHFFFAOYSA-N
AC1LASMK
CHEMBL96244
2-isopentyl-3,6-dimethylpyrazine
2,5-Dimethyl-3-isopentylpyrazine
3-Isopentyl-2,5-dimethylpyrazine
SCHEMBL6130003
2,5-Dimethyl-3-isoamylpyrazine
3-Isoamyl-2,5-dimethylpyrazine
3-Isopentyl-2,5-dimethyl-pyrazine
AKOS028111523
2,5-Dimethyl-3(3'-methylbutyl)pyrazine
Pyrazine, 3-isopentyl-2,5-dimethyl-
2,5-dimethyl-3-(3-methylbutyl)pyrazine
2-(3-Methylbutyl)-3,6-dimethylpyrazine
18433-98-2
Pyrazine, 2,5-dimethyl-3-(3-methylbutyl)-
IUPAC name2,5-dimethyl-3-(3-methylbutyl)pyrazine
SMILESCC1=CN=C(C(=N1)CCC(C)C)C
InchiInChI=1S/C11H18N2/c1-8(2)5-6-11-10(4)12-7-9(3)13-11/h7-8H,5-6H2,1-4H3
FormulaC11H18N2
PubChem ID519564
Molweight178.279
LogP1.81
Atoms31
Bonds31
H-bond Acceptor2
H-bond Donor0
Chemical ClassificationPyrazines nitrogen containing compounds nitrogen compounds pyrazoles

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaSulfitobacter Sp.This compound is an ant trail pheromone.Schulz and Dickschat, 2007
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaLoktanella Hongkongensis Strain Bio-204n/aDickschat et al., 2005_6
BacteriaSulfitobacter Dubius BIO-205n/aDickschat et al., 2005_6
BacteriaSulfitobacter Pontiacus BIO-007n/aDickschat et al., 2005_6
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10n/aphyllosphere of the plant (Capsicum sp.)Weise et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaSulfitobacter Sp.n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaLoktanella Hongkongensis Strain Bio-204n/an/a
BacteriaSulfitobacter Dubius BIO-205n/an/a
BacteriaSulfitobacter Pontiacus BIO-007n/an/a
BacteriaXanthomonas Campestris Pv. Vesicatoria 85-10NBIIThe bacteria was grow at 30°C in closed airflow-system for VOCs collection VOCs were analyzed by GC/MS and PTR-MS