2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C25H21ClF3N3O — CID 139656153

IUPAC2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(c2ccccc2)CN(CC(=O)Nc2cccc(C(F)(F)F)c2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClF3N3O/c1-24(18-6-3-2-4-7-18)16-32(31-23(24)17-10-12-20(26)13-11-17)15-22(33)30-21-9-5-8-19(14-21)25(27,28)29/h2-14H,15-16H2,1H3,(H,30,33)
InChIKeyPEPSFZROSUFGGD-UHFFFAOYSA-N
MW471.91 g/mol
LogP5.98
Rot. Bonds5

About 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 139656153) has the molecular formula C25H21ClF3N3O and a molecular weight of 471.91 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID139656153
Molecular FormulaC25H21ClF3N3O
Molecular Weight471.91 g/mol
Exact Mass471.13
IUPAC Name2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC1(c2ccccc2)CN(CC(=O)Nc2cccc(C(F)(F)F)c2)N=C1c1ccc(Cl)cc1
InChIInChI=1S/C25H21ClF3N3O/c1-24(18-6-3-2-4-7-18)16-32(31-23(24)17-10-12-20(26)13-11-17)15-22(33)30-21-9-5-8-19(14-21)25(27,28)29/h2-14H,15-16H2,1H3,(H,30,33)
InChIKeyPEPSFZROSUFGGD-UHFFFAOYSA-N
XLogP5.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.91
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-methyl-4-(trifluoromethyl)phenyl]acetamide
CID 139656555
2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-(2-methoxyethylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 139656184
N-(4-chlorophenyl)-2-[5-(4-chlorophenyl)-4-methyl-4-propanoyl-3H-pyrazol-2-yl]acetamide
CID 139656586
2-(6-chloro-1,1-dioxo-4-phenyl-1λ6,2,3-benzothiadiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46354063
methyl [N-[2-[5-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-4-phenyl-3H-pyrazol-2-yl]acetyl]-4-(trifluoromethyl)anilino]sulfanylformate
CID 139656693
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
ethyl 5-(4-chlorophenyl)-2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-4-prop-2-enyl-3H-pyrazole-4-carboxylate
CID 139656404
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
methyl 2-[2-(4-chloroanilino)-2-oxoethyl]-5-(4-methoxyphenyl)-4-methyl-3H-pyrazole-4-carboxylate
CID 139656319
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 120772271
2-[4-but-2-enyl-5-(4-chlorophenyl)-4-methyl-3H-pyrazol-2-yl]-N-(4-chlorophenyl)acetamide
CID 139656528
5-(4-chlorophenyl)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoyl]-3H-pyrazole-4-carboxylic acid
CID 18980917

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 139656153) is 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is CC1(c2ccccc2)CN(CC(=O)Nc2cccc(C(F)(F)F)c2)N=C1c1ccc(Cl)cc1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PEPSFZROSUFGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O/c1-24(18-6-3-2-4-7-18)16-32(31-23(24)17-10-12-20(26)13-11-17)15-22(33)30-21-9-5-8-19(14-21)25(27,28)29/h2-14H,15-16H2,1H3,(H,30,33).
What are the key properties of 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 471.91 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-4-methyl-4-phenyl-3H-pyrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 139656153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).