Basic information
- CAS
515177-71-6- Standard SMILES
CCn1cc(CNC(=O)c2cccc(Cl)c2)c(C)n1- InChIKey
PXVJWTCPDWKUHN-UHFFFAOYSA-N- Molecular formula
- C14H16ClN3O
- Average molar mass
- 277.75 g/mol
- Monoisotopic mass
- 277.0981898
Names & identifiers
- Preferred name
- 3-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]benzamide
- IUPAC
- 3-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamide
- English name
- 3-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]benzamide
- Molecular formula
- C14H16ClN3O
- Molecular weight
- 277.74934
Names & synonyms
3-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]benzamide3-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]benzamideSTK317038AKOS003747875AK-968/40707638515177-71-6
Database identifiers
- CAS
515177-71-6- PubChem CID
- 841188
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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