5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C26H24F3N3O2 — CID 162602947

IUPAC5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)nn1C1(C)C=CC=CC1
InChIInChI=1S/C26H24F3N3O2/c1-25(14-7-4-8-15-25)32-24(34-2)21(22(31-32)19-11-5-3-6-12-19)23(33)30-17-18-10-9-13-20(16-18)26(27,28)29/h3-14,16H,15,17H2,1-2H3,(H,30,33)
InChIKeyRQBQQJLAQNOTDM-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.74
Rot. Bonds6

About 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 162602947) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID162602947
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Name5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCOc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)nn1C1(C)C=CC=CC1
InChIInChI=1S/C26H24F3N3O2/c1-25(14-7-4-8-15-25)32-24(34-2)21(22(31-32)19-11-5-3-6-12-19)23(33)30-17-18-10-9-13-20(16-18)26(27,28)29/h3-14,16H,15,17H2,1-2H3,(H,30,33)
InChIKeyRQBQQJLAQNOTDM-UHFFFAOYSA-N
XLogP5.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42660586
3-cyclohepta-1,4,6-trien-1-yl-5-methyl-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 143069763
methyl (3R)-3-methyl-4-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]butanoate
CID 68614015
5-(2-methoxyphenyl)-2-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877589
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
2-methyl-3-[[3-(trifluoromethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 62671146
7-(methoxymethyl)-2-methyl-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3447380
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
3-(2,4-dimethoxyphenyl)-1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 3594843
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-amino-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 16769465
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 4027590

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 162602947) is 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is COc1c(C(=O)NCc2cccc(C(F)(F)F)c2)c(-c2ccccc2)nn1C1(C)C=CC=CC1.
What is the InChIKey of 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is RQBQQJLAQNOTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-25(14-7-4-8-15-25)32-24(34-2)21(22(31-32)19-11-5-3-6-12-19)23(33)30-17-18-10-9-13-20(16-18)26(27,28)29/h3-14,16H,15,17H2,1-2H3,(H,30,33).
What are the key properties of 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 467.49 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methylcyclohexa-2,4-dien-1-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162602947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).