[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol

C17H13Cl2FN2O — CID 3864674

IUPAC[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccccc1-n1cc(CO)c(-c2cc(F)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl2FN2O/c1-10-4-2-3-5-16(10)22-8-11(9-23)17(21-22)12-6-15(20)14(19)7-13(12)18/h2-8,23H,9H2,1H3
InChIKeyMFYDULIIQBWCNI-UHFFFAOYSA-N
MW351.21 g/mol
LogP4.79
Rot. Bonds3

About [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol

[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol (PubChem CID 3864674) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
PubChem CID3864674
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol
SMILESCc1ccccc1-n1cc(CO)c(-c2cc(F)c(Cl)cc2Cl)n1
InChIInChI=1S/C17H13Cl2FN2O/c1-10-4-2-3-5-16(10)22-8-11(9-23)17(21-22)12-6-15(20)14(19)7-13(12)18/h2-8,23H,9H2,1H3
InChIKeyMFYDULIIQBWCNI-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The IUPAC name of [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol (CID 3864674) is [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol is Cc1ccccc1-n1cc(CO)c(-c2cc(F)c(Cl)cc2Cl)n1.
What is the InChIKey of [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
The InChIKey is MFYDULIIQBWCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c1-10-4-2-3-5-16(10)22-8-11(9-23)17(21-22)12-6-15(20)14(19)7-13(12)18/h2-8,23H,9H2,1H3.
What are the key properties of [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol?
[3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol has a molecular weight of 351.21 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dichloro-5-fluorophenyl)-1-(2-methylphenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3864674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).