Basic information
- Standard SMILES
COC(=O)[C@@H]1C[C@@H](S(=O)(=O)CC2CC2)CN1c1cc(C)nn1-c1ccnc(Cl)c1- InChIKey
AGPQCZBUKWJNHP-CVEARBPZSA-N- Molecular formula
- C19H23ClN4O4S
- Average molar mass
- 438.9 g/mol
Names & identifiers
- Preferred name
- (2S,4R)-1-[2-(2-Chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-4-cyclopropylmethanesulfonyl-pyrrolidine-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl (2S,4R)-1-[2-(2-chloro-4-pyridinyl)-5-methylpyrazol-3-yl]-4-(cyclopropylmethylsulfonyl)pyrrolidine-2-carboxylate
Names & synonyms
SCHEMBL696812AGPQCZBUKWJNHP-CVEARBPZSA-N(2S,4R)-1-[2-(2-Chloro-pyridin-4-yl)-5-methyl-2H-pyrazol-3-yl]-4-cyclopropylmethanesulfonyl-pyrrolidine-2-carboxylic Acid Methyl Ester
Database identifiers
- PubChem CID
- 86646871
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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