AG0007LD

10250-63-2 | 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-, ethyl ester

AG0007LD

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CAS Number	10250-63-2
Catalog Number	AG0007LD(AGN-PC-0L6I3E)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-, ethyl ester
IUPAC Name	ethyl 2-methyl-5-phenylpyrazole-3-carboxylate
InChI	InChI=1S/C13H14N2O2/c1-3-17-13(16)12-9-11(14-15(12)2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
InChI Key	JDJQHVJXMXXKFO-UHFFFAOYSA-N
MDL Number	MFCD03933288
Molecular Formula	C13H14N2O2
Molecular Weight	230.2625
SMILES	O=C(C1=CC(C2=CC=CC=C2)=NN1C)OCC
Synonyms	Ethyl 1-methyl-3-phenyl-1H-pyrazole-5-carboxylate, 10250-63-2, ethyl 2-methyl-5-phenylpyrazole-3-carboxylate, ethyl 1-methyl-3-phenylpyrazole-5-carboxylate, AC1N55VW, SCHEMBL3664984, CTK4A1151, DTXSID60400163, JDJQHVJXMXXKFO-UHFFFAOYSA-N, KS-00000G5M, ZINC2520656, MFCD03933288, SBB097608, AKOS015908904, CS-W000420, MCULE-3430535559, AJ-37122, AK-56634, CJ-08762, DS-15120, DB-058818, FT-0740025, ST24046743, K-0310, 5-(Ethoxycarbonyl)-1-methyl-3-phenyl-1H-pyrazole, ethyl 1-methyl-3-phenyl-1H-5-pyrazolecarboxylate, I14-34544, 1-[5-(Ethoxycarbonyl)-1-methyl-1H-pyrazol-3-yl]benzene, 1-Methyl-3-phenyl-1H-pyrazole-5-carboxylic acid ethyl ester, 1H-Pyrazole-5-carboxylicacid, 1-methyl-3-phenyl-, ethyl ester, 1H-Pyrazole-5-carboxylicacid,1-methyl-3-phenyl-,ethyl ester, 2-Methyl-5-phenyl-2H-pyrazole-3-carboxylic acid ethyl ester, 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-phenyl-, ethyl ester, ZINC02520656, CID4166529,

Complexity	264
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.106g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	230.267g/mol
Monoisotopic Mass	230.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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