methyl 4-cyclobutyl-5-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzoate
Basic information
- Standard SMILES
CCc1cc(-c2cc(C(=O)OC)c(C)cc2C2CCC2)n[nH]1- InChIKey
CITILOAMXVKKCB-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
Names & identifiers
- Preferred name
- methyl 4-cyclobutyl-5-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzoate
- IUPAC
- methyl 4-cyclobutyl-5-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzoate
Names & synonyms
SCHEMBL12488272CITILOAMXVKKCB-UHFFFAOYSA-Nmethyl 4-cyclobutyl-5-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzoate
Database identifiers
- PubChem CID
- 68288367
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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