Basic information
- Standard SMILES
COC(=O)C1(C)CN(C(=O)Nc2c(C)noc2C)N=C1c1ccc(Cl)cc1- InChIKey
OBHSKIHPIKGVPY-UHFFFAOYSA-N- Molecular formula
- C18H19ClN4O4
- Average molar mass
- 390.8 g/mol
Names & identifiers
- Preferred name
- N-(3,5-dimethylisoxazol-4-yl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
- IUPAC
- methyl 5-(4-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
Names & synonyms
SCHEMBL10539690OBHSKIHPIKGVPY-UHFFFAOYSA-NN-(3,5-dimethylisoxazol-4-yl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Database identifiers
- PubChem CID
- 19852785
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 622
Related reactions
2 records
Compound notes
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