AG001M8U

15001-11-3 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-, ethyl ester

AG001M8U

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CAS Number	15001-11-3
Catalog Number	AG001M8U(AGN-PC-0Q450W)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-, ethyl ester
IUPAC Name	ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate
InChI	InChI=1S/C13H15N3O2/c1-3-18-13(17)11-8-15-16(12(11)14)10-6-4-9(2)5-7-10/h4-8H,3,14H2,1-2H3
InChI Key	HYLAFESEWXPMFD-UHFFFAOYSA-N
MDL Number	MFCD00973936
Molecular Formula	C13H15N3O2
Molecular Weight	245.2771
SMILES	O=C(C1=C(N)N(C2=CC=C(C)C=C2)N=C1)OCC
Synonyms	15001-11-3, ETHYL 5-AMINO-1-(4-METHYLPHENYL)-1H-PYRAZOLE-4-CARBOXYLATE, 150011-11-3, Ethyl 5-amino-1-(p-tolyl)-1H-pyrazole-4-carboxylate, 5-Amino-1-p-tolyl-1H-pyrazole-4-carboxylic acid ethyl ester, ethyl 5-amino-1-(4-methylphenyl)pyrazole-4-carboxylate, 4-Pyrimidinamine,5-chloro-6-(1-chloroethyl)-N-[(2,4-dichlorophenyl)methyl]-, Ethyl 5-amino-1-p-tolyl-1H-pyrazole-4-carboxylate, Ethyl5-amino-1-(4-methylphenyl)-1H-pyrazole-4-carboxylate, MLS000569360, ACMC-20d7cy, AC1LDZ6E, AC1Q64U3, CHEMBL1536228, CTK4C6477, KS-00000IWN, ZINC87163, HMS2333J12, ALBB-030580, ZX-AH007381, MFCD00973936, SBB040969, AKOS000260141, ACN-000008, ethylaminomethylphenylpyrazolecarboxylate, MCULE-2082325716, RP14001, ABA-7210622, KS-00001X10, AJ-10774, AK139358, CC-28053, SMR000155009, ZB003124, AX8018491, DB-043033, TR-035764, FT-0637168, A-8053, EN300-110825, Ethyl 5-amino-1-p-tolylpyrazole-4-carboxylate, 4W-0243, C-29471, SR-01000471314, J-521089, SR-01000471314-1, I14-13507, Z55148845, F0863-0055, Ethyl 5-amino-1-(4-methylphenyl)-1H-pyrazole-4carboxylate, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-methylphenyl)-, ethyl ester, HYLAFESEWXPMFD-UHFFFAOYSA-N, C13H15N3O2, AR-1I9400, CID703785, ETHYL5-AMINO-1- -1H-PYRAZOLE-4-CARBOXYLATE, 5-Amino-1-p-tolyl-1H-pyrazole-4-carboxylicacidethylester, 150-49-2,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	245.116g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.282g/mol
Monoisotopic Mass	245.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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