3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

C25H20F3N3O2 — CID 42660586

IUPAC3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H20F3N3O2/c1-33-21-12-10-18(11-13-21)22-15-23(31(30-22)20-8-3-2-4-9-20)24(32)29-16-17-6-5-7-19(14-17)25(26,27)28/h2-15H,16H2,1H3,(H,29,32)
InChIKeySIVCPUMOTGGVGG-UHFFFAOYSA-N
MW451.45 g/mol
LogP5.50
Rot. Bonds6

About 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide

3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 42660586) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID42660586
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C25H20F3N3O2/c1-33-21-12-10-18(11-13-21)22-15-23(31(30-22)20-8-3-2-4-9-20)24(32)29-16-17-6-5-7-19(14-17)25(26,27)28/h2-15H,16H2,1H3,(H,29,32)
InChIKeySIVCPUMOTGGVGG-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
N-(furan-2-ylmethyl)-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 4597615
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 3908887
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide (CID 42660586) is 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is SIVCPUMOTGGVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-33-21-12-10-18(11-13-21)22-15-23(31(30-22)20-8-3-2-4-9-20)24(32)29-16-17-6-5-7-19(14-17)25(26,27)28/h2-15H,16H2,1H3,(H,29,32).
What are the key properties of 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 451.45 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42660586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).