Basic information
- Standard SMILES
CC(=O)Nc1c[nH]nc1Cl- InChIKey
FDDYONREPPJKPZ-UHFFFAOYSA-N- Molecular formula
- C5H6ClN3O
- Average molar mass
- 159.57 g/mol
- Monoisotopic mass
- 159.0199395
Names & identifiers
- Preferred name
- N-(3-chloro-1H-pyrazol-4-yl)acetamide
- IUPAC
- N-(5-chloro-1H-pyrazol-4-yl)acetamide
Names & synonyms
N-(3-chloro-1H-pyrazol-4-yl)acetamide1704063-31-9N-(5-chloro-1H-pyrazol-4-yl)acetamideSCHEMBL16650076FDDYONREPPJKPZ-UHFFFAOYSA-NMFCD30280257H28593A1-10493
Database identifiers
- PubChem CID
- 91754462
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Related reactions
15 records
Compound notes
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