[1-(2-chloroethyl)pyrazol-4-yl]methanol

C6H9ClN2O — CID 4711793

IUPAC[1-(2-chloroethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCCl)c1
InChIInChI=1S/C6H9ClN2O/c7-1-2-9-4-6(5-10)3-8-9/h3-4,10H,1-2,5H2
InChIKeyFMCWPMUTUFMFTE-UHFFFAOYSA-N
MW160.60 g/mol
LogP0.61
Rot. Bonds3

About [1-(2-chloroethyl)pyrazol-4-yl]methanol

[1-(2-chloroethyl)pyrazol-4-yl]methanol (PubChem CID 4711793) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is [1-(2-chloroethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroethyl)pyrazol-4-yl]methanol
PubChem CID4711793
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name[1-(2-chloroethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CCCl)c1
InChIInChI=1S/C6H9ClN2O/c7-1-2-9-4-6(5-10)3-8-9/h3-4,10H,1-2,5H2
InChIKeyFMCWPMUTUFMFTE-UHFFFAOYSA-N
XLogP0.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 50.61
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-(2-chloroethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-chloroethyl)pyrazol-4-yl]methanol (CID 4711793) is [1-(2-chloroethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-chloroethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-chloroethyl)pyrazol-4-yl]methanol is OCc1cnn(CCCl)c1.
What is the InChIKey of [1-(2-chloroethyl)pyrazol-4-yl]methanol?
The InChIKey is FMCWPMUTUFMFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O/c7-1-2-9-4-6(5-10)3-8-9/h3-4,10H,1-2,5H2.
What are the key properties of [1-(2-chloroethyl)pyrazol-4-yl]methanol?
[1-(2-chloroethyl)pyrazol-4-yl]methanol has a molecular weight of 160.60 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 4711793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).