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Basic information
- Standard SMILES
COC(=O)c1c(CN2CCCC2)n(C)n(-c2ccccc2)c1=O- InChIKey
UDTDRFZCCNHENW-UHFFFAOYSA-N- Molecular formula
- C17H21N3O3
- Average molar mass
- 315.37 g/mol
- Monoisotopic mass
- 315.15829154
Names & identifiers
- Preferred name
- methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-pyrazole-4-carboxylate
- IUPAC
- methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)pyrazole-4-carboxylate
Names & synonyms
913375-93-6SCHEMBL198925UDTDRFZCCNHENW-UHFFFAOYSA-NDA-01099methyl 1-methyl-3-oxo-2-phenyl-5-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-pyrazole-4-carboxylate
Database identifiers
- PubChem CID
- 59598366
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 505
Related reactions
4 records
Compound notes
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