(3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methanamine
Basic information
- Standard SMILES
CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1- InChIKey
CUHWYWJSFYITCE-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3
- Average molar mass
- 263.76 g/mol
- Monoisotopic mass
- 263.1189253
Names & identifiers
- Preferred name
- (3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methanamine
- IUPAC
- [3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine
Names & synonyms
1254713-63-7(3-tert-butyl-1-(3-chlorophenyl)-1H-pyrazol-5-yl)methanamineSCHEMBL287455CUHWYWJSFYITCE-UHFFFAOYSA-NDA-46666
Database identifiers
- PubChem CID
- 58093530
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
10 records
Compound notes
Loading…