AG00014K

1001665-65-1 | Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate

AG00014K

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CAS Number	1001665-65-1
Catalog Number	AG00014K(AGN-PC-07XU76)
Chemical Name	Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate
IUPAC Name	ethyl 5-amino-4-cyano-1-(4-fluorophenyl)pyrazole-3-carboxylate
InChI	InChI=1S/C13H11FN4O2/c1-2-20-13(19)11-10(7-15)12(16)18(17-11)9-5-3-8(14)4-6-9/h3-6H,2,16H2,1H3
InChI Key	UUTVXASIJAMACY-UHFFFAOYSA-N
MDL Number	MFCD09835734
Molecular Formula	C13H11FN4O2
Molecular Weight	274.2504
SMILES	O=C(C1=NN(C2=CC=C(F)C=C2)C(N)=C1C#N)OCC
Synonyms	1001665-65-1, Ethyl 5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate, ETHYL 5-AMINO-4-CYANO-1-(4-FLUOROPHENYL)PYRAZOLE-3-CARBOXYLATE, ACMC-2097n2, SCHEMBL13664215, CTK3J8596, DTXSID20674868, ANW-14172, MFCD09835734, ZINC38537315, AKOS015854723, RTR-000054, AJ-96062, CJ-19428, AX8230606, TR-000054, ST24024986, Z6239, A-4036, I05-730, 1H-Pyrazole-3-carboxylic acid, 5-amino-4-cyano-1-(4-fluorophenyl)-, ethyl ester, C13H11FN4O2, Ethyl5-amino-4-cyano-1-(4-fluorophenyl)-1H-pyrazole-3-carboxylate,

Complexity	402
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.087g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	274.255g/mol
Monoisotopic Mass	274.087g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	93.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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