[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol

C17H14Cl2N2O — CID 3708231

IUPAC[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccccc1-n1cc(CO)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H14Cl2N2O/c1-11-4-2-3-5-16(11)21-9-12(10-22)17(20-21)14-7-6-13(18)8-15(14)19/h2-9,22H,10H2,1H3
InChIKeyCTZAHCCIXVXQFQ-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.65
Rot. Bonds3

About [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol

[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 3708231) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
PubChem CID3708231
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccccc1-n1cc(CO)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C17H14Cl2N2O/c1-11-4-2-3-5-16(11)21-9-12(10-22)17(20-21)14-7-6-13(18)8-15(14)19/h2-9,22H,10H2,1H3
InChIKeyCTZAHCCIXVXQFQ-UHFFFAOYSA-N
XLogP4.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol (CID 3708231) is [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol is Cc1ccccc1-n1cc(CO)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is CTZAHCCIXVXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-11-4-2-3-5-16(11)21-9-12(10-22)17(20-21)14-7-6-13(18)8-15(14)19/h2-9,22H,10H2,1H3.
What are the key properties of [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
[3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 333.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichlorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3708231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).