[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol

C11H9Cl3N2O — CID 58320698

IUPAC[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1
InChIInChI=1S/C11H9Cl3N2O/c12-11(13,14)10-6-8(7-17)15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeyPIKXMZSKNXABPL-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.19
Rot. Bonds2

About [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol

[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol (PubChem CID 58320698) has the molecular formula C11H9Cl3N2O and a molecular weight of 291.56 g/mol. Its IUPAC name is [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol
PubChem CID58320698
Molecular FormulaC11H9Cl3N2O
Molecular Weight291.56 g/mol
Exact Mass289.98
IUPAC Name[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol
SMILESOCc1cc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1
InChIInChI=1S/C11H9Cl3N2O/c12-11(13,14)10-6-8(7-17)15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2
InChIKeyPIKXMZSKNXABPL-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol?
The IUPAC name of [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol (CID 58320698) is [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol is OCc1cc(C(Cl)(Cl)Cl)n(-c2ccccc2)n1.
What is the InChIKey of [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol?
The InChIKey is PIKXMZSKNXABPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl3N2O/c12-11(13,14)10-6-8(7-17)15-16(10)9-4-2-1-3-5-9/h1-6,17H,7H2.
What are the key properties of [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol?
[1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol has a molecular weight of 291.56 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-5-(trichloromethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 58320698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).