AG007N2U

13599-12-7 | Ethyl 3-phenyl-1H-pyrazole-5-carboxylate

AG007N2U

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CAS Number	13599-12-7
Catalog Number	AG007N2U(AGN-PC-0JMQ8X)
Chemical Name	Ethyl 3-phenyl-1H-pyrazole-5-carboxylate
IUPAC Name	ethyl 3-phenyl-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C12H12N2O2/c1-2-16-12(15)11-8-10(13-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,13,14)
InChI Key	AZZHJDRWBMQEKD-UHFFFAOYSA-N
MDL Number	MFCD03130041
Molecular Formula	C12H12N2O2
Molecular Weight	216.2359
SMILES	O=C(C1=CC(C2=CC=CC=C2)=NN1)OCC
Synonyms	Ethyl 3-phenyl-1H-pyrazole-5-carboxylate, 5932-30-9, ethyl 5-phenyl-1H-pyrazole-3-carboxylate, 13599-12-7, 5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, 3(5)-phenyl-5(3)-ethoxycarbonylpyrazole, ethyl 3-phenylpyrazole-5-carboxylate, 5-Phenyl-2H-pyrazole-3-carboxylic acid ethyl ester, AZZHJDRWBMQEKD-UHFFFAOYSA-N, 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER, ethyl 5-phenyl-2H-pyrazole-3-carboxylate, F3379-1038, 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester, ACMC-209c4y, AC1L3D8D, SCHEMBL69842, KSC609O7H, MLS000332649, CHEMBL1708027, CTK5A9773, CTK8B0462, KS-00000IRY, DTXSID30208057, HMS2800P10, ALBB-013314, KS-00000F8E, ZINC3882295, ANW-20000, ANW-60648, BBL011625, Ethyl 5-phenylpyrazole-3-carboxylate, MFCD02130942, MFCD03130041, SBB081529, STK724077, AKOS000276390, AKOS005531071, AB10941, ACN-001029, MCULE-3390331833, MP-0814, RP26975, NCGC00246501-01, AJ-46669, AJ-46670, AK-81985, AK-87709, CJ-11101, DS-16465, SMR000435998, AB1008218, DB-063109, 4CH-006704, CS-0037156, Ethyl 3-phenyl-1H-pyrazole-5-carboxylate #, FT-0687898, FT-0747713, ST51064250, VU0613540-1, C-1458, SR-01000451417, J-520907, SR-01000451417-1, 1H-Pyrazole-3-carboxylicacid, 5-phenyl-, ethyl ester, 1H-pyrazole-5-carboxylic acid, 3-phenyl-, ethyl ester, A2341/0098834, null, CID138628, ZINC00053567, Ethyl5-phenyl-1H-pyrazole-3-carboxylate, Ethyl 3-phenyl-1H-pyrazole-5-carboxylate, 97% - 1G 1g,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.09g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.24g/mol
Monoisotopic Mass	216.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55A^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

Certificate of Analysis

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