N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

C25H20F3N3O — CID 42730554

IUPACN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C25H20F3N3O/c1-16-8-13-22(17(2)14-16)31-23(15-21(30-31)18-6-4-3-5-7-18)29-24(32)19-9-11-20(12-10-19)25(26,27)28/h3-15H,1-2H3,(H,29,32)
InChIKeyCWMNRSPYQWXLNY-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.43
Rot. Bonds4

About N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide

N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 42730554) has the molecular formula C25H20F3N3O and a molecular weight of 435.45 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID42730554
Molecular FormulaC25H20F3N3O
Molecular Weight435.45 g/mol
Exact Mass435.16
IUPAC NameN-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1
InChIInChI=1S/C25H20F3N3O/c1-16-8-13-22(17(2)14-16)31-23(15-21(30-31)18-6-4-3-5-7-18)29-24(32)19-9-11-20(12-10-19)25(26,27)28/h3-15H,1-2H3,(H,29,32)
InChIKeyCWMNRSPYQWXLNY-UHFFFAOYSA-N
XLogP6.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-fluorobenzamide
CID 42732968
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-4-nitrobenzamide
CID 42732971
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-2-(2-methylpropylamino)acetamide
CID 1062073
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 42732982
N-[2-[[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbutanamide
CID 42733696
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581
4-tert-butyl-N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
CID 46087774
N-[3-tert-butyl-1-(2,4-dimethylphenyl)pyrazol-5-yl]-4-nitrobenzamide
CID 42730526
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 1052142
1,5-bis(2,4-dimethylphenyl)-3-phenylpyrazole
CID 177442441
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide (CID 42730554) is N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccc(C(F)(F)F)cc2)c(C)c1.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is CWMNRSPYQWXLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O/c1-16-8-13-22(17(2)14-16)31-23(15-21(30-31)18-6-4-3-5-7-18)29-24(32)19-9-11-20(12-10-19)25(26,27)28/h3-15H,1-2H3,(H,29,32).
What are the key properties of N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide?
N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 435.45 g/mol, XLogP of 6.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)-3-phenylpyrazol-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42730554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).