[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol

C10H8BrFN2O — CID 130121230

IUPAC[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C10H8BrFN2O/c11-9-3-8(1-2-10(9)12)14-5-7(6-15)4-13-14/h1-5,15H,6H2
InChIKeyKJABMIXBQLIJMQ-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.27
Rot. Bonds2

About [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol

[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol (PubChem CID 130121230) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol
PubChem CID130121230
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(-c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C10H8BrFN2O/c11-9-3-8(1-2-10(9)12)14-5-7(6-15)4-13-14/h1-5,15H,6H2
InChIKeyKJABMIXBQLIJMQ-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol (CID 130121230) is [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol is OCc1cnn(-c2ccc(F)c(Br)c2)c1.
What is the InChIKey of [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is KJABMIXBQLIJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-9-3-8(1-2-10(9)12)14-5-7(6-15)4-13-14/h1-5,15H,6H2.
What are the key properties of [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol?
[1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 271.09 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-fluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 130121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).