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3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

HCID 178696604
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Basic information

CAS
489450-07-9
Standard SMILES
Cc1ccc(C2CC(C(F)(F)F)n3nc(C(=O)NCc4c(C)nn(C)c4C)c(Cl)c3N2)cc1
InChIKey
WQMGLGQHVOXFEU-UHFFFAOYSA-N
Molecular formula
C22H24ClF3N6O
Average molar mass
480.9 g/mol
Monoisotopic mass
480.1652216

Names & identifiers

Preferred name
3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
IUPAC
3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
English name
3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Molecular formula
C22H24ClF3N6O
Molecular weight
480.91

Names & synonyms

MLS000028204SMR0000115793-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-Chloro-5-p-tolyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (1,3,5-trimethyl-1H-pyrazol-4-ylmethyl)-amide3-CHLORO-5-(4-METHYLPHENYL)-7-(TRIFLUOROMETHYL)-N-[(1,3,5-TRIMETHYLPYRAZOL-4-YL)METHYL]-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXAMIDEMLS000880220CHEMBL1555853BDBM44555cid_5767160HMS2474J22STL405124
Show more names
Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 3-chloro-4,5,6,7-tetrahydro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-
AKOS000561987AKOS022005321CCG-116042ST45161383ST50014645AK-968/153603693-chloranyl-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide3-chloro-5-(4-methylphenyl)-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

Database identifiers

CAS
489450-07-9
PubChem CID
644416
ChEMBL
CHEMBL1555853

Properties

Computed structural propertiesFilling in

XLogP
4.5
Topological polar surface area
76.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
33
Formal charge
0
Complexity
706

Physicochemical properties

Boiling point
632 · 632.0±55.0 °C(Predicted)
Density
1.45 · 1.45±0.1 g/cm3(Predicted)
pka
12.39 · 12.39±0.60(Predicted)

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