Basic information
- CAS
645418-06-0- Standard SMILES
COc1ccc(C(=O)Nc2c(-c3ccccc3)n[nH]c2C)c(OC)c1OC- InChIKey
VPIQUFSJYQGSMM-UHFFFAOYSA-N- Molecular formula
- C20H21N3O4
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.15320616
Names & identifiers
- Preferred name
- 2,3,4-trimethoxy-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
- IUPAC
- 2,3,4-trimethoxy-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
Names & synonyms
645418-06-02,3,4-trimethoxy-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamideSCHEMBL5248514DTXSID60619672
Database identifiers
- CAS
645418-06-0- PubChem CID
- 21897948
- DTXSID
DTXSID60619672
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 85.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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