AG001VC6

16078-71-0 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester

AG001VC6

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CAS Number	16078-71-0
Catalog Number	AG001VC6(AGN-PC-0JLVL1)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
EC Number	240-224-8
IUPAC Name	ethyl 5-amino-1-phenylpyrazole-4-carboxylate
InChI	InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChI Key	AYJIUOZKKTUKKD-UHFFFAOYSA-N
MDL Number	MFCD00020731
Molecular Formula	C12H13N3O2
Molecular Weight	231.2505
SMILES	CCOC(=O)C1=C(N)N(N=C1)C1=CC=CC=C1
Synonyms	Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate, 16078-71-0, 3-Amino-4-carbethoxy-2-phenylpyrazole, 5-Amino-4-Carbethoxy-1-Phenylpyrazole, 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester, ethyl 5-amino-1-phenylpyrazole-4-carboxylate, EINECS 240-224-8, AYJIUOZKKTUKKD-UHFFFAOYSA-N, MFCD00020731, 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester, Ethyl 3-amino-2-phenylpyrazole-4-carboxylate, Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate, 5-amino-1-phenylpyrazole-4-carboxylic acid ethyl ester, NSC75788, PubChem12809, Maybridge1_006278, ChemDiv2_003253, ACMC-20aa48, Ethyl 5-amino-1-phenyl pyrazole-4-carboxylate, NCIOpen2_004063, MLS000532169, AC1L394L, AC1Q332L, AC1Q332M, AC1Q64U5, SCHEMBL1143334, CHEMBL1418139, DTXSID5073406, HMS559F08, KS-00000GMC, ZINC35796, HMS1378D19, HMS2491A10, ALBB-019861, ZERO/001114, ANW-64038, BBL007922, CCG-15138, HTS001070, NSC-75788, NSC221275, SBB000706, STK299271, AKOS000260234, 7N-528S, ACN-000035, CA-1949, CS-W022698, MCULE-7310377477, NSC-221275, QC-4445, RD-0193, VP20071, 5-Amino-4-carboethoxy-1-phenylpyrazole, UPCMLD0ENAT5241793:001, NCGC00245722-01, AC-11878, AJ-08631, AK-55123, BP-11874, SMR000137110, ST005573, ZB000969, 5-Amino-4-ethoxycarbonyl-1-phenylpyrazole, AB0095751, DB-012066, LS-128275, ST2406967, TC-152783, BB 0219111, E1258, FT-0619965, SR-01000390054, Ethyl 5-amino-1-phenyl-4-pyrazolecarboxylate, 98%, I14-1814, I14-7541, J-009753, J-521095, SR-01000390054-1, Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate #, F0406-3639, 5-amino-1-phenyl-1H-pyrazole-4-carboxilic acid ethyl ester, 5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid, ethyl ester, C12H13N3O2, CID85270, AR-1F1785, C12-H13-N3-O2, 1H-Pyrazole-4-carboxylic acid, ethyl ester, Ethyl5-amino-1-phenyl-1H-pyrazole-4-carboxylate, 5-Amino-1-phenyl-1H-pyrazole-4-carboxylicacidethylester, 16421-41-3,

Complexity	267
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.101g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.255g/mol
Monoisotopic Mass	231.101g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	70.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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