3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C25H19F3N4O3 — CID 117076299

IUPAC3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cnn(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)35-22-11-9-19(10-12-22)31-24(34)18-7-4-8-21(14-18)32-16-20(15-29-32)30-23(33)13-17-5-2-1-3-6-17/h1-12,14-16H,13H2,(H,30,33)(H,31,34)
InChIKeyRCJBFMGSNYNJOX-UHFFFAOYSA-N
MW480.45 g/mol
LogP5.20
Rot. Bonds7

About 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide

3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 117076299) has the molecular formula C25H19F3N4O3 and a molecular weight of 480.45 g/mol. Its IUPAC name is 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID117076299
Molecular FormulaC25H19F3N4O3
Molecular Weight480.45 g/mol
Exact Mass480.14
IUPAC Name3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Cc1ccccc1)Nc1cnn(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1
InChIInChI=1S/C25H19F3N4O3/c26-25(27,28)35-22-11-9-19(10-12-22)31-24(34)18-7-4-8-21(14-18)32-16-20(15-29-32)30-23(33)13-17-5-2-1-3-6-17/h1-12,14-16H,13H2,(H,30,33)(H,31,34)
InChIKeyRCJBFMGSNYNJOX-UHFFFAOYSA-N
XLogP5.20
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
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N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
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N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
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N-(2-(4-ethoxybenzamido)ethyl)-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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CID 20791535
1-(4-Ethoxyphenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884919
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide
CID 52939107
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
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1-[4-(difluoromethoxy)phenyl]-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 117076299) is 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Cc1ccccc1)Nc1cnn(-c2cccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)c1.
What is the InChIKey of 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is RCJBFMGSNYNJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N4O3/c26-25(27,28)35-22-11-9-19(10-12-22)31-24(34)18-7-4-8-21(14-18)32-16-20(15-29-32)30-23(33)13-17-5-2-1-3-6-17/h1-12,14-16H,13H2,(H,30,33)(H,31,34).
What are the key properties of 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 480.45 g/mol, XLogP of 5.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-phenylacetyl)amino]pyrazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 117076299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).