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18213-75-7 | 1H-Pyrazole-4-carboxamide, 5-amino-1-methyl-
CAS No: 18213-75-7 Catalog No: AG0023EO MDL No:MFCD00111808
Product Description
Catalog Number:
AG0023EO
Chemical Name:
1H-Pyrazole-4-carboxamide, 5-amino-1-methyl-
CAS Number:
18213-75-7
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
MDL Number:
MFCD00111808
IUPAC Name:
5-amino-1-methylpyrazole-4-carboxamide
InChI:
InChI=1S/C5H8N4O/c1-9-4(6)3(2-8-9)5(7)10/h2H,6H2,1H3,(H2,7,10)
InChI Key:
JGSQVTVXGXOSCH-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnn(c1N)C
NSC Number:
102026
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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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