3-bromo-N-(3,4-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
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Basic information
- CAS
332852-59-2- Standard SMILES
COc1ccc(NC(=O)c2nn3c(c2Br)NC(c2cccs2)CC3C(F)(F)F)cc1OC- InChIKey
SNCXXZPUWCHQHI-UHFFFAOYSA-N- Molecular formula
- C20H18BrF3N4O3S
- Average molar mass
- 531.3 g/mol
- Monoisotopic mass
- 530.02351
Names & identifiers
- Preferred name
- 3-bromo-N-(3,4-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- IUPAC
- 3-bromo-N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- English name
- 3-bromo-N-(3,4-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
- Molecular formula
- C20H18BrF3N4O3S
- Molecular weight
- 531.3461296
Names & synonyms
3-bromo-N-(3,4-dimethoxyphenyl)-5-(2-thienyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideCBMicro_012532ChemDiv1_003957HMS598D19SMSF0013230AKOS000559859AKOS022068832CB15751BIM-0012601.P001EU-0071975ST50010437AK-968/15359230
Show more names
SR-01000436725SR-01000436725-13-bromo-N-(3,4-dimethoxyphenyl)-5-(thiophen-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-N-(3,4-dimethoxyphenyl)-5-thiophen-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide332852-59-2N-(3,4-dimethoxyphenyl)[3-bromo-5-(2-thienyl)-7-(trifluoromethyl)(4H,5H,6H,7H- pyrazolo[1,5-a]1,3-diazaperhydroin-2-yl)]carboxamide
Database identifiers
- CAS
332852-59-2- PubChem CID
- 2884483
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
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Compound notes
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