Basic information
- Standard SMILES
COC(=O)C1(C)CN(C(=O)Nc2ccc(Cl)cn2)N=C1c1ccc(Cl)cc1- InChIKey
KRLMCCWVJWSYGI-UHFFFAOYSA-N- Molecular formula
- C18H16Cl2N4O3
- Average molar mass
- 407.2 g/mol
- Monoisotopic mass
- 406.0599458
Names & identifiers
- Preferred name
- N-(5-chloropyrid-2-yl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
- IUPAC
- methyl 5-(4-chlorophenyl)-2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methyl-3H-pyrazole-4-carboxylate
Names & synonyms
SCHEMBL10536813KRLMCCWVJWSYGI-UHFFFAOYSA-NN-(5-chloropyrid-2-yl)-3-(4-chlorophenyl)-4-carbomethoxy-4-methyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Database identifiers
- PubChem CID
- 19852657
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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