N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide

C24H18F3N3O — CID 46842664

IUPACN-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H18F3N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30/h2-15H,1H3,(H,29,31)
InChIKeyOXWGJXMJYXGVEW-UHFFFAOYSA-N
MW421.42 g/mol
LogP6.12
Rot. Bonds4

About N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46842664) has the molecular formula C24H18F3N3O and a molecular weight of 421.42 g/mol. Its IUPAC name is N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46842664
Molecular FormulaC24H18F3N3O
Molecular Weight421.42 g/mol
Exact Mass421.14
IUPAC NameN-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1
InChIInChI=1S/C24H18F3N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30/h2-15H,1H3,(H,29,31)
InChIKeyOXWGJXMJYXGVEW-UHFFFAOYSA-N
XLogP6.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.42
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-aminoquinolin-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 59437987
N-[3-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86297092
3-amino-4-methyl-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35275378
N-[4-methyl-3-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)indol-6-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 134271243
3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 69043668
2-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 90937276
3-bromo-N-(4-pyrazol-1-ylphenyl)benzamide
CID 35761421
N-[4-methyl-3-[[4-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 146622044
N-[3-[2-(4-hydroxypiperidin-1-yl)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 134609566
N-pyrazolo[1,5-a]pyridin-5-yl-3-(trifluoromethyl)benzamide
CID 86266831
N-[3-(1-ethyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 90407897
N-[3-[4-(6-amino-3-pyridinyl)pyrazol-1-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 165113852

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide (CID 46842664) is N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is OXWGJXMJYXGVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O/c1-16-6-9-20(29-23(31)18-4-2-5-19(14-18)24(25,26)27)15-22(16)17-7-10-21(11-8-17)30-13-3-12-28-30/h2-15H,1H3,(H,29,31).
What are the key properties of N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 421.42 g/mol, XLogP of 6.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(4-pyrazol-1-ylphenyl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).