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Home Carboxys 1H-Pyrazole-3-carboxylicacid, 5-(4-methoxyphenyl)-, methyl ester

1H-Pyrazole-3-carboxylicacid, 5-(4-methoxyphenyl)-, methyl ester

CAS No.:
192701-83-0
Catalog Number:
AG007R6W
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
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Product Description
Catalog Number:
AG007R6W
Chemical Name:
1H-Pyrazole-3-carboxylicacid, 5-(4-methoxyphenyl)-, methyl ester
CAS Number:
192701-83-0
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD05668058
IUPAC Name:
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-16-9-5-3-8(4-6-9)10-7-11(14-13-10)12(15)17-2/h3-7H,1-2H3,(H,13,14)
InChI Key:
FJNMXQMHEIWMQI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1n[nH]c(c1)C(=O)OC
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties