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

C16H10Cl3FN2O — CID 3764304

IUPAC[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2Cl)nc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3FN2O/c17-11-3-1-2-4-15(11)22-7-9(8-23)16(21-22)10-5-14(20)13(19)6-12(10)18/h1-7,23H,8H2
InChIKeyYPSTWVWHNPJHGG-UHFFFAOYSA-N
MW371.63 g/mol
LogP5.13
Rot. Bonds3

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

[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol (PubChem CID 3764304) has the molecular formula C16H10Cl3FN2O and a molecular weight of 371.63 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol
PubChem CID3764304
Molecular FormulaC16H10Cl3FN2O
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2Cl)nc1-c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C16H10Cl3FN2O/c17-11-3-1-2-4-15(11)22-7-9(8-23)16(21-22)10-5-14(20)13(19)6-12(10)18/h1-7,23H,8H2
InChIKeyYPSTWVWHNPJHGG-UHFFFAOYSA-N
XLogP5.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.63
LogP ≤ 55.13
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 [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol (CID 3764304) is [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol is OCc1cn(-c2ccccc2Cl)nc1-c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is YPSTWVWHNPJHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3FN2O/c17-11-3-1-2-4-15(11)22-7-9(8-23)16(21-22)10-5-14(20)13(19)6-12(10)18/h1-7,23H,8H2.
What are the key properties of [1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol?
[1-(2-chlorophenyl)-3-(2,4-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 371.63 g/mol, XLogP of 5.13, 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-dichloro-5-fluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 3764304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).