AG0019SC

138907-68-3 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester

AG0019SC

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CAS Number	138907-68-3
Catalog Number	AG0019SC(AGN-PC-0JUYPD)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
IUPAC Name	ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
InChI	InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
InChI Key	RPPPCKSHIYWAPW-UHFFFAOYSA-N
MDL Number	MFCD00173917
Molecular Formula	C12H12FN3O2
Molecular Weight	249.2410
SMILES	CCOC(=O)C1=C(N)N(N=C1)C1=CC=C(F)C=C1
Synonyms	138907-68-3, ethyl 5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate, ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate, ethyl 5-amino-1-(4-fluoro-phenyl)-1h-pyrazole-4-carboxylate, RPPPCKSHIYWAPW-UHFFFAOYSA-N, AC1LEML6, Maybridge1_006170, MLS001017570, AC1Q332I, AC1Q332J, SCHEMBL1195022, CHEMBL1319763, CTK4C1455, HMS559A10, ZINC57700, DTXSID60350952, ethyl5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate, HMS2591M19, ALBB-030581, KS-00000Z8P, ANW-55697, BBL012424, HTS028315, MFCD00173917, SBB000884, STK392490, AKOS000259993, AB04379, ACN-000070, ethylaminofluorophenylpyrazolecarboxylate, MCULE-6523414021, RP14184, RTR-005128, VP20148, AJ-09770, AK-58945, AN-31782, RH 00119, SC-54170, SMR000353810, ZB002224, DB-042456, TR-005128, BB 0219132, FT-0626119, ST24047072, ST45054920, Y1233, EN300-16283, K-4495, 4W-0244, J-521088, I14-13496, Z55148901, F2164-0009, 5-Amino-4-(ethoxycarbonyl)-1-(4-fluorophenyl)-1H-pyrazole, 5-AMINO-1-(4-FLUOROPHENYL)-1H-PYRAZOLE-4-CARBOXYLI, ethyl-5-amino-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate, ETHYL5-AMINO-1-(4-FLUOROPHENYL)PYRAZOLE-4-CARBOXYLATE, 1-[5-Amino-4-(ethoxycarbonyl)-1H-pyrazol-1-yl]-4-fluorobenzene, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester, 5-amino-1-(4-fluoro-phenyl)-1h-pyrazole-4-carboxylic acid ethyl ester, 5-amino-1-(4-fluorophenyl)-1h-pyrazole-4-carboxylic acid ethyl ester, C12H12FN3O2, CID688689, ZINC00057700, A2994, ETHYL5-AMINO-1- PYRAZOLE-4-CARBOXYLATE,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.091g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.245g/mol
Monoisotopic Mass	249.091g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

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