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26308-42-9 | 1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-
CAS No: 26308-42-9 Catalog No: AG002SO1 MDL No:MFCD03086079
Product Description
Catalog Number:
AG002SO1
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 3-ethyl-1-methyl-
CAS Number:
26308-42-9
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD03086079
IUPAC Name:
5-ethyl-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H10N2O2/c1-3-5-4-6(7(10)11)9(2)8-5/h4H,3H2,1-2H3,(H,10,11)
InChI Key:
AYPCLZDGADHRDL-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1)C(=O)O)C
Properties
Complexity:
161
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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