AG008SJK

103646-82-8 | 5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile

AG008SJK

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CAS Number	103646-82-8
Catalog Number	AG008SJK(AGN-PC-0KLB1U)
Chemical Name	5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile
IUPAC Name	5-amino-1-(4-methylphenyl)pyrazole-4-carbonitrile
InChI	InChI=1S/C11H10N4/c1-8-2-4-10(5-3-8)15-11(13)9(6-12)7-14-15/h2-5,7H,13H2,1H3
InChI Key	MJQOLPWOOIMZDA-UHFFFAOYSA-N
MDL Number	MFCD00052944
Molecular Formula	C11H10N4
Molecular Weight	198.2239
SMILES	CC1=CC=C(C=C1)N1N=CC(C#N)=C1N
Synonyms	103646-82-8, 5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carbonitrile, 5-Amino-1-(p-tolyl)-1H-pyrazole-4-carbonitrile, 5-Amino-1-p-tolyl-1H-pyrazole-4-carbonitrile, 5-amino-1-(4-methylphenyl)pyrazole-4-carbonitrile, CHEMBL443354, 1H-Pyrazole-4-carbonitrile,5-amino-1-(4-methylphenyl)-, PubChem14487, ACMC-20a3sh, Maybridge1_001728, AC1MCT06, MLS000833729, SCHEMBL1456317, CTK4A2288, HMS546G12, ZINC93115, DTXSID90384164, HMS2809M05, aminomethylphenylpyrazolecarbonitrile, ALBB-030579, KS-00000G8F, ZX-AT003714, ANW-55839, BDBM50242691, MFCD00052944, SBB092307, STL507855, AKOS000260140, ACN-000203, MCULE-2419748518, OR14185, RP11643, RTR-000849, VP20117, AJ-10911, AK-56367, AN-34135, CC-21072, SC-62503, SMR000457250, ZB003274, AX8012958, DB-040474, TR-000849, 5-amino-1-(p-tolyl)pyrazole-4-carbonitrile, A1870, FT-0642537, EN300-178094, K-0391, A800776, C-09217, 11X-0946, 5-amino-1-(4-methylphenyl)-4-pyrazolecarbonitrile, 5-azanyl-1-(4-methylphenyl)pyrazole-4-carbonitrile, J-516643, I14-11612, 1-(4-Methylphenyl)-5-amino-1H-pyrazole-4-carbonitrile, F2135-0877, ZINC00093115, CID2800424,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.091g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.229g/mol
Monoisotopic Mass	198.091g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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