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

C17H11Cl2F3N2O2 — CID 587369

IUPAC(3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2F3N2O2/c18-12-6-4-11(5-7-12)16(26)9-14(17(20,21)22)23-24(16)15(25)10-2-1-3-13(19)8-10/h1-8,26H,9H2
InChIKeyAJYREMZOBNOKSW-UHFFFAOYSA-N
MW403.19 g/mol
LogP4.60
Rot. Bonds2

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

(3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 587369) has the molecular formula C17H11Cl2F3N2O2 and a molecular weight of 403.19 g/mol. Its IUPAC name is (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID587369
Molecular FormulaC17H11Cl2F3N2O2
Molecular Weight403.19 g/mol
Exact Mass402.01
IUPAC Name(3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)CC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H11Cl2F3N2O2/c18-12-6-4-11(5-7-12)16(26)9-14(17(20,21)22)23-24(16)15(25)10-2-1-3-13(19)8-10/h1-8,26H,9H2
InChIKeyAJYREMZOBNOKSW-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(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

Related Compounds

(4-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2845040
(4-Chloro-phenyl)-[3-(4-chloro-phenyl)-5-hydroxy-5-methyl-4,5-dihydro-pyrazol-1-yl]-methanone
CID 3100400
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-p-tolyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 3107186
[5-(4-fluorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-phenylmethanone
CID 3113607
5-(4-chlorophenyl)-1-(2-fluorobenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
CID 3113628
[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4,5-dihydro-1H-pyrazol-1-yl](2-methylphenyl)methanone
CID 3113629
1-[(4-chlorophenyl)-oxomethyl]-5-hydroxy-5-phenyl-4H-pyrazole-3-carboxylic acid methyl ester
CID 2858902
2-Pyrazolin-5-ol, 1-(2-fluorobenzoyl)-3-trifluoromethyl-5-phenyl-
CID 579539
1-benzoyl-5-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 2845036
(4-Chloro-phenyl)-(3-ethyl-5-hydroxy-5-phenyl-4,5-dihydro-pyrazol-1-yl)-methanone
CID 2857540
(2-chlorophenyl)-(5-hydroxy-3-methyl-5-phenyl-4H-pyrazol-1-yl)methanone
CID 2868929
3-butyl-1-(3-chlorobenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
CID 3123724

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 587369) is (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is O=C(c1cccc(Cl)c1)N1N=C(C(F)(F)F)CC1(O)c1ccc(Cl)cc1.
What is the InChIKey of (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is AJYREMZOBNOKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F3N2O2/c18-12-6-4-11(5-7-12)16(26)9-14(17(20,21)22)23-24(16)15(25)10-2-1-3-13(19)8-10/h1-8,26H,9H2.
What are the key properties of (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
(3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 403.19 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 587369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).