Basic information
- Standard SMILES
CCOC(=O)Cc1c(CC(C)C)nn(-c2ccccn2)c1C- InChIKey
FDGIEVCHMPFOGY-UHFFFAOYSA-N- Molecular formula
- C17H23N3O2
- Average molar mass
- 301.4 g/mol
Names & identifiers
- Preferred name
- (3-isobutyl-5-methyl-1-pyridin-2-yl-1H-pyrazol-4-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-[5-methyl-3-(2-methylpropyl)-1-pyridin-2-ylpyrazol-4-yl]acetate
Names & synonyms
SCHEMBL3324201FDGIEVCHMPFOGY-UHFFFAOYSA-N(3-isobutyl-5-methyl-1-pyridin-2-yl-1H-pyrazol-4-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 68596057
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Related reactions
3 records
Compound notes
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