AG000ZKD

131661-41-1 | 1H-Pyrazole-4-carbonitrile, 3-methyl-

AG000ZKD

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CAS Number	131661-41-1
Catalog Number	AG000ZKD(AGN-PC-0WAIA4)
Chemical Name	1H-Pyrazole-4-carbonitrile, 3-methyl-
IUPAC Name	5-methyl-1H-pyrazole-4-carbonitrile
InChI	InChI=1S/C5H5N3/c1-4-5(2-6)3-7-8-4/h3H,1H3,(H,7,8)
InChI Key	SBHYNBAKHDSUKT-UHFFFAOYSA-N
MDL Number	MFCD05664572
Molecular Formula	C5H5N3
Molecular Weight	107.1133
SMILES	N#CC1=CNN=C1C
Synonyms	3-methyl-1H-pyrazole-4-carbonitrile, 131661-41-1, 5-methyl-1H-pyrazole-4-carbonitrile, 3-Methyl-4-cyanopyrazole, 3-methylpyrazole-4-carbonitrile, ZERO/005572, AC1LQSY7, SCHEMBL3358649, SCHEMBL11948731, DTXSID90362548, SBHYNBAKHDSUKT-UHFFFAOYSA-N, 3-Methyl-1H-pyrazol-4-yl cyanide, ZINC1235122, 3-methyl-1H-pyrazol-4-carbonitrile, 5870AA, MFCD05664572, SBB013488, STK691768, AKOS005604134, AKOS013464775, MCULE-8794401963, SB15977, 1H-Pyrazole-4-carbonitrile, 3-methyl-, KS-0000060D, AJ-25161, AK-76070, DS-16565, ST092016, DB-083008, ST2405133, 4CH-016826, CS-0040904, FT-0742792, F8888-3292, Z1966569994, C5H5N3, CID1382043, N/A,

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	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number