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10199-57-2 | 1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-
CAS No: 10199-57-2 Catalog No: AG000670 MDL No:MFCD00124910
Product Description
Catalog Number:
AG000670
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-methyl-1-phenyl-
CAS Number:
10199-57-2
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00124910
IUPAC Name:
5-methyl-1-phenylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChI Key:
JAUNWUAOFPNAKK-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn(c(c1)C)c1ccccc1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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