2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

C25H20F3N3O2 — CID 138983629

IUPAC2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(C)c2C(=O)Nc2ccccc2-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C25H20F3N3O2/c1-16-6-5-7-19(17-10-12-18(33-2)13-11-17)23(16)24(32)29-20-8-3-4-9-21(20)31-15-14-22(30-31)25(26,27)28/h3-15H,1-2H3,(H,29,32)
InChIKeyXJZJGEJNOFURER-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.13
Rot. Bonds5

About 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide

2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (PubChem CID 138983629) has the molecular formula C25H20F3N3O2 and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
PubChem CID138983629
Molecular FormulaC25H20F3N3O2
Molecular Weight451.45 g/mol
Exact Mass451.15
IUPAC Name2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide
SMILESCOc1ccc(-c2cccc(C)c2C(=O)Nc2ccccc2-n2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C25H20F3N3O2/c1-16-6-5-7-19(17-10-12-18(33-2)13-11-17)23(16)24(32)29-20-8-3-4-9-21(20)31-15-14-22(30-31)25(26,27)28/h3-15H,1-2H3,(H,29,32)
InChIKeyXJZJGEJNOFURER-UHFFFAOYSA-N
XLogP6.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
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N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide
CID 52939107
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-3-yl]-1H-quinolin-4-one
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5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
2,5-dimethyl-N-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 122188591
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
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3-[4-(difluoromethoxy)phenyl]-N-(4-methylpiperazin-1-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 16195889
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 25161924
N-[2-(4-methoxyanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 25162147
1-(4-methoxyphenyl)-3-methyl-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 44402216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The IUPAC name of 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide (CID 138983629) is 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The canonical SMILES for 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is COc1ccc(-c2cccc(C)c2C(=O)Nc2ccccc2-n2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
The InChIKey is XJZJGEJNOFURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N3O2/c1-16-6-5-7-19(17-10-12-18(33-2)13-11-17)23(16)24(32)29-20-8-3-4-9-21(20)31-15-14-22(30-31)25(26,27)28/h3-15H,1-2H3,(H,29,32).
What are the key properties of 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide?
2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide has a molecular weight of 451.45 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 138983629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).