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

C16H12Cl2N2O2 — CID 3101245

IUPAC(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-5-1-11(2-6-13)15(21)20-16(22,9-10-19-20)12-3-7-14(18)8-4-12/h1-8,10,22H,9H2
InChIKeyZXFKYRGIISOUSS-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.67
Rot. Bonds2

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

(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone (PubChem CID 3101245) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone
PubChem CID3101245
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1N=CCC1(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12Cl2N2O2/c17-13-5-1-11(2-6-13)15(21)20-16(22,9-10-19-20)12-3-7-14(18)8-4-12/h1-8,10,22H,9H2
InChIKeyZXFKYRGIISOUSS-UHFFFAOYSA-N
XLogP3.67
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone (CID 3101245) is (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1N=CCC1(O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone?
The InChIKey is ZXFKYRGIISOUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-13-5-1-11(2-6-13)15(21)20-16(22,9-10-19-20)12-3-7-14(18)8-4-12/h1-8,10,22H,9H2.
What are the key properties of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone has a molecular weight of 335.19 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3101245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).