7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Basic information
- Standard SMILES
Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(F)cc3)c2n1- InChIKey
LMJXYGBRWFRVAY-UHFFFAOYSA-N- Molecular formula
- C16H13F3N4O
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.10414554
Names & identifiers
- Preferred name
- 7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- IUPAC
- 7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
Names & synonyms
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide7-(difluoromethyl)-N-[(4-fluorophenyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamideMLS000675379CHEMBL1599493HMS2756H15STK961158AKOS001674890SMR000293230AK-968/41022371
Database identifiers
- PubChem CID
- 975267
- ChEMBL
CHEMBL1599493
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Experimental & physicochemical properties
Solubility32.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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