[3-Chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
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Basic information
- CAS
332858-50-1- Standard SMILES
COc1ccc(C2CC(C(F)(F)F)n3nc(CO)c(Cl)c3N2)cc1OC- InChIKey
HSKRPZAISUYPBS-UHFFFAOYSA-N- Molecular formula
- C16H17ClF3N3O3
- Average molar mass
- 391.77 g/mol
- Monoisotopic mass
- 391.0910536
Names & identifiers
- Preferred name
- [3-Chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
- IUPAC
- [3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
- English name
- [3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanol
- Molecular formula
- C16H17ClF3N3O3
- Molecular weight
- 391.7726896
Names & synonyms
[3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanolSMR000010787(3-chloro-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl)methanol[3-Chloro-5-(3,4-dimethoxy-phenyl)-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl]-methanolMLS000073355MLS002537781CHEMBL1353373HMS2406A24AKOS000559118AKOS022068955ST50010503AK-968/15359550
Show more names
SR-01000437269SR-01000437269-1[5-(3,4-dimethoxyphenyl)-3-chloro-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5 -a]1,3-diazaperhydroin-2-yl]methan-1-ol332858-50-1
Database identifiers
- CAS
332858-50-1- PubChem CID
- 646591
- ChEMBL
CHEMBL1353373
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
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Compound notes
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