N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C24H19F3N4O2 — CID 112833487

IUPACN-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H19F3N4O2/c1-15-7-10-17(11-8-15)31-22(13-19(30-31)18-5-3-4-6-20(18)33-2)29-23(32)16-9-12-21(28-14-16)24(25,26)27/h3-14H,1-2H3,(H,29,32)
InChIKeyWEANGEHQQHKHCN-UHFFFAOYSA-N
MW452.44 g/mol
LogP5.52
Rot. Bonds5

About N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 112833487) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID112833487
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC NameN-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(C)cc2)n1
InChIInChI=1S/C24H19F3N4O2/c1-15-7-10-17(11-8-15)31-22(13-19(30-31)18-5-3-4-6-20(18)33-2)29-23(32)16-9-12-21(28-14-16)24(25,26)27/h3-14H,1-2H3,(H,29,32)
InChIKeyWEANGEHQQHKHCN-UHFFFAOYSA-N
XLogP5.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.44
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 112833505
N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-2-(2-nitrophenoxy)acetamide
CID 112833460
4-fluoro-N-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46087927
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 43018526
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 46088027
3-chloro-4,5-dimethoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43036788
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
4-tert-butyl-N-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]benzamide
CID 46087774
4-tert-butyl-N-[3-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-phenylpyrazol-5-yl]benzamide
CID 2323868

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 112833487) is N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(C)cc2)n1.
What is the InChIKey of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WEANGEHQQHKHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-15-7-10-17(11-8-15)31-22(13-19(30-31)18-5-3-4-6-20(18)33-2)29-23(32)16-9-12-21(28-14-16)24(25,26)27/h3-14H,1-2H3,(H,29,32).
What are the key properties of N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 452.44 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 112833487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).