Basic information
- Standard SMILES
COc1cccc(-c2cc(=O)[nH]c3c(-c4ccc(C)cc4)c(C)nn23)c1- InChIKey
GGBHUMKIRWITED-UHFFFAOYSA-N- Molecular formula
- C21H19N3O2
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.14772686
Names & identifiers
- Preferred name
- 3-(4-methylphenyl)-7-(3-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one
- IUPAC
- 7-(3-methoxyphenyl)-2-methyl-3-(4-methylphenyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
Names & synonyms
SCHEMBL10072288GGBHUMKIRWITED-UHFFFAOYSA-N3-(4-methylphenyl)-7-(3-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-5(4H)-one
Database identifiers
- PubChem CID
- 136409077
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 555
Related reactions
1 records
Compound notes
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