3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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Basic information
- CAS
332858-19-2- Standard SMILES
CCCNC(=O)c1nn2c(c1Cl)NC(c1ccc(C)cc1)CC2C(F)(F)F- InChIKey
BQHRKHFEYMCXRR-UHFFFAOYSA-N- Molecular formula
- C18H20ClF3N4O
- Average molar mass
- 400.8 g/mol
- Monoisotopic mass
- 400.1277735
Names & identifiers
- Preferred name
- 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C18H20ClF3N4O
- Molecular weight
- 400.83
Names & synonyms
3-chloro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideSTK343407AKOS000559320AKOS021991578ST50706744AK-968/15359867SR-01000437239SR-01000437239-1[3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1, 3-diazaperhydroin-2-yl)]-N-propylcarboxamide3-chloro-N-propyl-5-(p-tolyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamidePyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-4,5,6,7-tetrahydro-5-(4-methylphenyl)-N-propyl-7-(trifluoromethyl)-
Database identifiers
- CAS
332858-19-2- PubChem CID
- 3133983
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 527
Physicochemical properties
- Boiling point
- 521.4 · 521.4±50.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 13.38 · 13.38±0.60(Predicted)
Related reactions
0 records
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Compound notes
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