K3A
- Molecular formula
- C6 H9 N3 O
- Molecular weight (g/mol)
- 139.16
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- N-(5-methyl-1H-pyrazol-3-yl)acetamide
- SMILES
- Cc1cc(n[nH]1)NC(=O)C
- Isomeric SMILES
- Cc1cc(n[nH]1)NC(=O)C
- InChI
- InChI=1S/C6H9N3O/c1-4-3-6(9-8-4)7-5(2)10/h3H,1-2H3,(H2,7,8,9,10)
- InChIKey
- LUFRABHJXNJTNZ-UHFFFAOYSA-N
- CAS
- 83725-05-7
Chemical & physical properties
- HBA
- 2
- HBD
- 2
- TPSA (Ų)
- 57.78
- cLogP
- 0.68
- Chiral atoms
- 0
- Molar refractivity
- 37.63
- Rings
- 1
- Aromatic rings
- 1
- Fraction Csp³
- 0.33
- Formal charge
- 0
Calculated properties
QED0.601
NPScore-0.423718932
SAScore7.057342233