Basic information
- Standard SMILES
Cc1nn(C)c(CC(C)C)c1N- InChIKey
QBOKSJXAEXYVAG-UHFFFAOYSA-N- Molecular formula
- C9H17N3
- Average molar mass
- 167.25 g/mol
- Monoisotopic mass
- 167.14224756
Names & identifiers
- Preferred name
- 4-amino-1,3-dimethyl-5-isobutyl-1H-pyrazole
- IUPAC
- 1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-amine
Names & synonyms
SCHEMBL16497259QBOKSJXAEXYVAG-UHFFFAOYSA-N4-amino-1,3-dimethyl-5-isobutyl-1H-pyrazole
Database identifiers
- PubChem CID
- 83529318
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
1 records
Compound notes
Loading…