AG00CIR5

38693-82-2 | 5-Methyl-1H-pyrazole-3-carbonitrile

AG00CIR5

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CAS Number	38693-82-2
Catalog Number	AG00CIR5(AGN-PC-0NT1FW)
Chemical Name	5-Methyl-1H-pyrazole-3-carbonitrile
IUPAC Name	5-methyl-1H-pyrazole-3-carbonitrile
InChI	InChI=1S/C5H5N3/c1-4-2-5(3-6)8-7-4/h2H,1H3,(H,7,8)
InChI Key	XTBXUVDOFGVBLP-UHFFFAOYSA-N
MDL Number	MFCD11934282
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	N#CC1=NNC(C)=C1
Synonyms	5-methyl-1H-pyrazole-3-carbonitrile, 38693-82-2, 3-Cyano-5-methylpyrazole, SCHEMBL12778740, CTK8B5571, DTXSID40653554, ACN-C001128, KS-00000OI4, ANW-49171, MFCD11934282, ZINC32005330, AKOS015919996, AKOS022965561, AKOS025394668, 3-METHYLPYRAZOLE-5-CARBONITRILE, CS-W006080, AJ-84509, AK-42622, BR-42622, CJ-22206, DS-14088, SC-47885, AB0024623, AJ-126272, TC-137916, 4CH-010187, ST24029517, W5930, S-5536, 3,5-Dimethyl-1H-pyrazole, C5H5N3,

Complexity	123
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	107.048g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	107.116g/mol
Monoisotopic Mass	107.048g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number