Basic information
- CAS
876299-99-9- Standard SMILES
COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1Cl- InChIKey
CMMUDBGAPVCPJR-UHFFFAOYSA-N- Molecular formula
- C14H18ClN3O
- Average molar mass
- 279.76 g/mol
- Monoisotopic mass
- 279.1138399
Names & identifiers
- Preferred name
- 3-tert-Butyl-1-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-amine
- IUPAC
- 3-tert-butyl-1-(3-chloro-4-methoxyphenyl)pyrazol-5-amine
Names & synonyms
SCHEMBL14688275DTXSID8011556863-tert-Butyl-1-(3-chloro-4-methoxyphenyl)-1H-pyrazol-5-amine1-(3-Chloro-4-methoxyphenyl)-3-(1,1-dimethylethyl)-1H-pyrazol-5-amine876299-99-9
Database identifiers
- CAS
876299-99-9- PubChem CID
- 71253258
- DTXSID
DTXSID801155686
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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