(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C17H11Cl2F3N2O2 — CID 2858796

IUPAC(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(20,21)22)24(23-14)15(25)11-3-7-13(19)8-4-11/h1-8,26H,9H2
InChIKeyPKONXBUYSGUZLJ-UHFFFAOYSA-N
MW403.19 g/mol
LogP4.49
Rot. Bonds2

About (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 2858796) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID2858796
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC Name(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F
InChIInChI=1S/C17H11Cl2F3N2O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(20,21)22)24(23-14)15(25)11-3-7-13(19)8-4-11/h1-8,26H,9H2
InChIKeyPKONXBUYSGUZLJ-UHFFFAOYSA-N
XLogP4.49
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.19
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 2858796) is (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)CC1(O)C(F)(F)F.
What is the InChIKey of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is PKONXBUYSGUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c18-12-5-1-10(2-6-12)14-9-16(26,17(20,21)22)24(23-14)15(25)11-3-7-13(19)8-4-11/h1-8,26H,9H2.
What are the key properties of (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 403.19 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-chlorophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 2858796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).