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

C17H14Cl2N2O2 — CID 2884878

IUPAC(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c1-11-10-17(23,13-4-8-15(19)9-5-13)21(20-11)16(22)12-2-6-14(18)7-3-12/h2-9,23H,10H2,1H3
InChIKeyWKJMGIQWSDKLNA-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.06
Rot. Bonds2

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

(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone (PubChem CID 2884878) has the molecular formula C17H14Cl2N2O2 and a molecular weight of 349.22 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
PubChem CID2884878
Molecular FormulaC17H14Cl2N2O2
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
SMILESCC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H14Cl2N2O2/c1-11-10-17(23,13-4-8-15(19)9-5-13)21(20-11)16(22)12-2-6-14(18)7-3-12/h2-9,23H,10H2,1H3
InChIKeyWKJMGIQWSDKLNA-UHFFFAOYSA-N
XLogP4.06
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.06
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-3-methyl-4H-pyrazol-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone (CID 2884878) is (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone is CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccc(Cl)cc2)C1.
What is the InChIKey of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
The InChIKey is WKJMGIQWSDKLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O2/c1-11-10-17(23,13-4-8-15(19)9-5-13)21(20-11)16(22)12-2-6-14(18)7-3-12/h2-9,23H,10H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone?
(4-chlorophenyl)-[5-(4-chlorophenyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone has a molecular weight of 349.22 g/mol, XLogP of 4.06, 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-3-methyl-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 2884878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).