N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H14F4N4O — CID 50793938

IUPACN-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cc1F
InChIInChI=1S/C21H14F4N4O/c1-12-7-8-14(9-16(12)22)27-20(30)15-11-26-29-18(21(23,24)25)10-17(28-19(15)29)13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)
InChIKeyOZQZUMBMJZOVBO-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.11
Rot. Bonds3

About N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 50793938) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID50793938
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cc1F
InChIInChI=1S/C21H14F4N4O/c1-12-7-8-14(9-16(12)22)27-20(30)15-11-26-29-18(21(23,24)25)10-17(28-19(15)29)13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30)
InChIKeyOZQZUMBMJZOVBO-UHFFFAOYSA-N
XLogP5.11
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N,5-bis(4-bromophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3123077
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
N-(3-chlorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298665
5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6945421
N-(2,4-difluorophenyl)-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2298807
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457731
N-[2-[benzyl(methyl)amino]ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3262968
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111024
7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]-N-[3-(trifluoromethylsulfonyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 11585073

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 50793938) is N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OZQZUMBMJZOVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c1-12-7-8-14(9-16(12)22)27-20(30)15-11-26-29-18(21(23,24)25)10-17(28-19(15)29)13-5-3-2-4-6-13/h2-11H,1H3,(H,27,30).
What are the key properties of N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 414.36 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50793938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).