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3-bromo-5-(5-bromofuran-2-yl)-N-(3-(1-hydroxyethyl)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

HCID 178934603
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Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
357397-91-2
Standard SMILES
CC(O)c1cccc(NC(=O)c2nn3c(c2Br)NC(c2ccc(Br)o2)CC3C(F)(F)F)c1
InChIKey
LICGWAUPOOIQTC-UHFFFAOYSA-N
Molecular formula
C20H17Br2F3N4O3
Average molar mass
578.2 g/mol

Names & identifiers

Preferred name
3-bromo-5-(5-bromofuran-2-yl)-N-(3-(1-hydroxyethyl)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC
3-bromo-5-(5-bromofuran-2-yl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
English name
3-bromo-5-(5-bromo-2-furyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Molecular formula
C20H17Br2F3N4O3
Molecular weight
578.18

Names & synonyms

3-bromo-5-(5-bromofuran-2-yl)-N-(3-(1-hydroxyethyl)phenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-bromo-5-(5-bromofuran-2-yl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamideAK-968/15359592STK343309ZINC00674442AKOS001622509AKOS022063432EU-0038734ST50706285SR-01000437410SR-01000437410-1[3-bromo-5-(5-bromo(2-furyl))-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1 ,3-diazaperhydroin-2-yl)]-N-[3-(hydroxyethyl)phenyl]carboxamide
Show more names
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-bromo-5-(5-bromo-2-furanyl)-4,5,6,7-tetrahydro-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-
3-bromo-5-(5-bromo-2-furyl)-N-[3-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Database identifiers

CAS
357397-91-2

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
92.3 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Formal charge
0
Complexity
691

Physicochemical properties

Boiling point
583.7 · 583.7±50.0 °C(Predicted)
Density
1.89 · 1.89±0.1 g/cm3(Predicted)
pka
10.72 · 10.72±0.70(Predicted)

Chemistry & industry

Suppliers2 total

PHARMEKS Ltd.[email protected]
SPECS[email protected]

Related reactions

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Compound notes

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