[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol

C10H8ClFN2O — CID 106530074

IUPAC[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C10H8ClFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-5,15H,6H2
InChIKeyIMUKYGUAFPILFH-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.16
Rot. Bonds2

About [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol

[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol (PubChem CID 106530074) has the molecular formula C10H8ClFN2O and a molecular weight of 226.64 g/mol. Its IUPAC name is [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
PubChem CID106530074
Molecular FormulaC10H8ClFN2O
Molecular Weight226.64 g/mol
Exact Mass226.03
IUPAC Name[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(-n2cc(Cl)cn2)c1
InChIInChI=1S/C10H8ClFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-5,15H,6H2
InChIKeyIMUKYGUAFPILFH-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol?
The IUPAC name of [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol (CID 106530074) is [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol is OCc1cc(F)cc(-n2cc(Cl)cn2)c1.
What is the InChIKey of [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol?
The InChIKey is IMUKYGUAFPILFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2O/c11-8-4-13-14(5-8)10-2-7(6-15)1-9(12)3-10/h1-5,15H,6H2.
What are the key properties of [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol?
[3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol has a molecular weight of 226.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloropyrazol-1-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 106530074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).