AG001EC5

14678-93-4 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-

AG001EC5

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CAS Number	14678-93-4
Catalog Number	AG001EC5(AGN-PC-0LD92N)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-
IUPAC Name	5-amino-1-(4-methylphenyl)pyrazole-4-carboxylic acid
InChI	InChI=1S/C11H11N3O2/c1-7-2-4-8(5-3-7)14-10(12)9(6-13-14)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChI Key	APMQYFHSZSHAOC-UHFFFAOYSA-N
MDL Number	MFCD00973937
Molecular Formula	C11H11N3O2
Molecular Weight	217.2239
SMILES	O=C(C1=C(N)N(C2=CC=C(C)C=C2)N=C1)O
Synonyms	14678-93-4, 5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid, 5-Amino-1-p-tolyl-1H-pyrazole-4-carboxylic acid, 5-Amino-1-(p-tolyl)-1H-pyrazole-4-carboxylic acid, 1H-Pyrazole-4-carboxylicacid, 5-amino-1-(4-methylphenyl)-, AC1NCHY9, 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylic Acid, CTK0H1928, KS-00001NDG, DTXSID50404251, ZINC2571502, 5774AH, MFCD00973937, AKOS022213136, AS-47633, OR345258, BC4229897, K-4690, 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-&, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-, 5-Amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid, 97%, C11H11N3O2, CID4559194,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.085g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.228g/mol
Monoisotopic Mass	217.085g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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