4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide

C25H19ClF3N3O2 — CID 59631763

IUPAC4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
SMILESCc1ccc(CO)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H19ClF3N3O2/c1-15-6-7-16(14-33)12-20(15)30-24(34)18-10-8-17(9-11-18)22-13-23(25(27,28)29)31-32(22)21-5-3-2-4-19(21)26/h2-13,33H,14H2,1H3,(H,30,34)
InChIKeyBBIAPXXWCINOIJ-UHFFFAOYSA-N
MW485.89 g/mol
LogP6.26
Rot. Bonds5

About 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide

4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide (PubChem CID 59631763) has the molecular formula C25H19ClF3N3O2 and a molecular weight of 485.89 g/mol. Its IUPAC name is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
PubChem CID59631763
Molecular FormulaC25H19ClF3N3O2
Molecular Weight485.89 g/mol
Exact Mass485.11
IUPAC Name4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
SMILESCc1ccc(CO)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H19ClF3N3O2/c1-15-6-7-16(14-33)12-20(15)30-24(34)18-10-8-17(9-11-18)22-13-23(25(27,28)29)31-32(22)21-5-3-2-4-19(21)26/h2-13,33H,14H2,1H3,(H,30,34)
InChIKeyBBIAPXXWCINOIJ-UHFFFAOYSA-N
XLogP6.26
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.89
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US11104690, Example 107
CID 134522056
US11104690, Example 106
CID 134522884
US11104690, Example 80
CID 146220192
1-(2,4-Dichloro-phenyl)-5-(4''-trifluoromethyl-biphenyl-4-yl)-1H-pyrazole-3-carboxylic acid
CID 44311507
4-[[[2-[[1-(2-Chlorophenyl)-4-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methoxy]-2-methylpropanoyl]amino]methyl]benzoic acid
CID 72202151
1-(3-(aminomethyl)phenyl)-N-(2-chloro-5-(hydroxy(phenyl)methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 126665810
1-(4-chlorophenyl)-5-[4-(hydroxymethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 164614982
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-(hydroxymethyl)benzamide
CID 10181022
2-(2-chlorophenyl)-N-[2-(hydroxymethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 59240060
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(2-hydroxyethyl)-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-3-carboxamide
CID 59581382
N-(2-chlorophenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631627
N-(3-chloro-2-methylphenyl)-4-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzamide
CID 59631632

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The IUPAC name of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide (CID 59631763) is 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide is Cc1ccc(CO)cc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The InChIKey is BBIAPXXWCINOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF3N3O2/c1-15-6-7-16(14-33)12-20(15)30-24(34)18-10-8-17(9-11-18)22-13-23(25(27,28)29)31-32(22)21-5-3-2-4-19(21)26/h2-13,33H,14H2,1H3,(H,30,34).
What are the key properties of 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide has a molecular weight of 485.89 g/mol, XLogP of 6.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 59631763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).