AG00EB3D

56426-35-8 | 5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER

AG00EB3D

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CAS Number	56426-35-8
Catalog Number	AG00EB3D(AGN-PC-0OCD9Q)
Chemical Name	5-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 3-phenyl-1H-pyrazole-5-carboxylate
InChI	InChI=1S/C11H10N2O2/c1-15-11(14)10-7-9(12-13-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChI Key	ROXAFVODFXYSFO-UHFFFAOYSA-N
MDL Number	MFCD00781977
Molecular Formula	C11H10N2O2
Molecular Weight	202.2093
SMILES	O=C(C1=NNC(C2=CC=CC=C2)=C1)OC
Synonyms	methyl 3-phenyl-1H-pyrazole-5-carboxylate, 56426-35-8, methyl 5-phenyl-1H-pyrazole-3-carboxylate, 856061-37-5, 5-Phenyl-1H-pyrazole-3-carboxylic acid methyl ester, 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, methyl ester, BAS 06491662, MLS-0023692.0001, 5-Phenyl-2H-pyrazole-3-carboxylic acid methyl ester, AC1LD9KM, TimTec1_008484, methylphenylpyrazolecarboxylate, MLS000076632, SCHEMBL646099, cid_644585, CHEMBL1493025, BDBM41868, CTK5A5113, CTK6I8079, KS-00001OVM, DTXSID50349390, ROXAFVODFXYSFO-UHFFFAOYSA-N, HMS1558G17, HMS2346K16, BCP23028, ZINC4541145, BBL007705, MFCD00208415, MFCD00781977, SBB009683, STK335042, methyl 3-phenylpyrazole-5-carboxylate, methyl 5-phenylpyrazole-3-carboxylate, AKOS000112493, AKOS000309341, ACN-001030, ACN-025260, GL-0338, MCULE-2025218630, PS-3088, RP11810, KS-00000F88, AJ-51627, AJ-51628, AK123842, SC-72503, SMR000013780, methyl 5-phenyl-2H-pyrazole-3-carboxylate, AB0032050, DB-052916, BB 0219248, CS-0042951, FT-0640386, FT-0727004, H8434, ST45127990, X5318, 3-phenylpyrazole-5-carboxylic acid methyl ester, K-9990, 061M375, 1Y-0617, 426P358, SR-01000323024, 1H-Pyrazole-3-carboxylicacid,5-phenyl-,methyl ester, 3-phenyl-1H-pyrazole-5-carboxylic acid methyl ester, I14-9691, J-522210, SR-01000323024-1, 1H-Pyrazole-3-carboxylicacid, 5-phenyl-, methyl ester, F2130-0064, 3-(Methoxycarbonyl)-5-phenyl-1H-pyrazole, [3-(Methoxycarbonyl)-1H-pyrazol-5-yl]benzene, RARECHEMALBF1033, C11H10N2O2, CID644585, ZINC04541145,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.213g/mol
Monoisotopic Mass	202.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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