3-Benzamidoaminopyrazole deriv. 24
Basic information
- CAS
714230-82-7- Standard SMILES
CCCc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1- InChIKey
LCTGDIGFDXPBRR-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O
- Average molar mass
- 308.17 g/mol
- Monoisotopic mass
- 307.03202
Names & identifiers
- Preferred name
- 3-Benzamidoaminopyrazole deriv. 24
- IUPAC
- 4-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
Names & synonyms
3-Benzamidoaminopyrazole deriv. 24714230-82-7DTXSID50416213RefChem:276868DTXCID803670624-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamideCHEMBL114432BDBM7147N-(5-Propyl-1H-pyrazol-3-yl)-4-bromobenzamide
Database identifiers
- CAS
714230-82-7- PubChem CID
- 5330992
- DTXSID
DTXSID50416213- ChEMBL
CHEMBL114432
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 279
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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