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

C16H11Cl3N2O — CID 3792191

IUPAC[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N2O/c17-11-5-6-12(14(19)7-11)16-10(9-22)8-21(20-16)15-4-2-1-3-13(15)18/h1-8,22H,9H2
InChIKeyMBXGOEHMXOTBRS-UHFFFAOYSA-N
MW353.64 g/mol
LogP4.99
Rot. Bonds3

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

[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol (PubChem CID 3792191) has the molecular formula C16H11Cl3N2O and a molecular weight of 353.64 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
PubChem CID3792191
Molecular FormulaC16H11Cl3N2O
Molecular Weight353.64 g/mol
Exact Mass351.99
IUPAC Name[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N2O/c17-11-5-6-12(14(19)7-11)16-10(9-22)8-21(20-16)15-4-2-1-3-13(15)18/h1-8,22H,9H2
InChIKeyMBXGOEHMXOTBRS-UHFFFAOYSA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.64
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol (CID 3792191) is [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol is OCc1cn(-c2ccccc2Cl)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
The InChIKey is MBXGOEHMXOTBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O/c17-11-5-6-12(14(19)7-11)16-10(9-22)8-21(20-16)15-4-2-1-3-13(15)18/h1-8,22H,9H2.
What are the key properties of [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol?
[1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol has a molecular weight of 353.64 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-3-(2,4-dichlorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3792191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).