N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F3N4O — CID 19457731

IUPACN-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(C)C)cc4)nc23)c1
InChIInChI=1S/C25H23F3N4O/c1-14(2)17-7-9-18(10-8-17)21-12-22(25(26,27)28)32-23(30-21)19(13-29-32)24(33)31-20-11-15(3)5-6-16(20)4/h5-14H,1-4H3,(H,31,33)
InChIKeyJMBVUSGYRSQDNX-UHFFFAOYSA-N
MW452.48 g/mol
LogP6.41
Rot. Bonds4

About N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19457731) has the molecular formula C25H23F3N4O and a molecular weight of 452.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19457731
Molecular FormulaC25H23F3N4O
Molecular Weight452.48 g/mol
Exact Mass452.18
IUPAC NameN-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(C)C)cc4)nc23)c1
InChIInChI=1S/C25H23F3N4O/c1-14(2)17-7-9-18(10-8-17)21-12-22(25(26,27)28)32-23(30-21)19(13-29-32)24(33)31-20-11-15(3)5-6-16(20)4/h5-14H,1-4H3,(H,31,33)
InChIKeyJMBVUSGYRSQDNX-UHFFFAOYSA-N
XLogP6.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457762
N-(2-methylphenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122174343
N-(1,5-dimethylpyrazol-4-yl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457720
5-(4-propan-2-ylphenyl)-N-(2,3,5,6-tetrafluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19456030
5-(4-propan-2-ylphenyl)-N-(2-sulfanylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457724
N-(3,5-dichlorophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 22333509
ethyl 5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 998722
N-[(4-fluorophenyl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457636
propan-2-yl 2-[[5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19457664
N-(4-cyanophenyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1113903
N-[(1-ethylpyrazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457700
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19457818

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19457731) is N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(C)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(C)C)cc4)nc23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JMBVUSGYRSQDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O/c1-14(2)17-7-9-18(10-8-17)21-12-22(25(26,27)28)32-23(30-21)19(13-29-32)24(33)31-20-11-15(3)5-6-16(20)4/h5-14H,1-4H3,(H,31,33).
What are the key properties of N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19457731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).