AG004V98

834869-10-2 | Methyl 3-ethyl-1H-pyrazole-5-carboxylate

AG004V98

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CAS Number	834869-10-2
Catalog Number	AG004V98(AGN-PC-06MIFI)
Chemical Name	Methyl 3-ethyl-1H-pyrazole-5-carboxylate
IUPAC Name	methyl 5-ethyl-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C7H10N2O2/c1-3-5-4-6(9-8-5)7(10)11-2/h4H,3H2,1-2H3,(H,8,9)
InChI Key	BNHJTPCDNQDUPI-UHFFFAOYSA-N
MDL Number	MFCD08236689
Molecular Formula	C7H10N2O2
Molecular Weight	154.1665
SMILES	COC(=O)C1=CC(=N[NH]1)CC
Synonyms	834869-10-2, 3-Ethyl-5-pyrazolcarboxylic acid methyl ester, METHYL 3-ETHYL-1H-PYRAZOLE-5-CARBOXYLATE, Methyl 3-Ethylpyrazole-5-carboxylate, METHYL 5-ETHYL-1H-PYRAZOLE-3-CARBOXYLATE, SCHEMBL4191221, CTK5F0736, KS-00000KRL, DTXSID80656024, ANW-51434, methyl 5-ethylpyrazole-3-carboxylate, MFCD08236689, SBB087004, ZINC35234448, AKOS015852365, CS-W003482, FS-2847, RP21846, AJ-90814, AK-26351, BR-26351, CJ-18642, methyl 5-ethyl-2H-pyrazole-3-carboxylate, SY019650, AB0026913, DB-075937, TR-025973, 4CH-006370, FT-0647889, ST24033246, W8669, 5-ethyl-3-pyrazolcarboxylic acid methyl ester, MFCD08236689 (95%), J-512428, 1H-Pyrazole-3-carboxylicacid, 5-ethyl-, methyl ester, C7H10N2O2, S-6123,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	154.074g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	154.169g/mol
Monoisotopic Mass	154.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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