[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol

C7H11ClN2O — CID 124706619

IUPAC[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1CCCl
InChIInChI=1S/C7H11ClN2O/c1-6-7(5-11)4-9-10(6)3-2-8/h4,11H,2-3,5H2,1H3
InChIKeyFYBBWJUUWNPGKC-UHFFFAOYSA-N
MW174.63 g/mol
LogP0.92
Rot. Bonds3

About [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol

[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol (PubChem CID 124706619) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol
PubChem CID124706619
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1CCCl
InChIInChI=1S/C7H11ClN2O/c1-6-7(5-11)4-9-10(6)3-2-8/h4,11H,2-3,5H2,1H3
InChIKeyFYBBWJUUWNPGKC-UHFFFAOYSA-N
XLogP0.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 50.92
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)-5-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol (CID 124706619) is [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol is Cc1c(CO)cnn1CCCl.
What is the InChIKey of [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol?
The InChIKey is FYBBWJUUWNPGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-6-7(5-11)4-9-10(6)3-2-8/h4,11H,2-3,5H2,1H3.
What are the key properties of [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol?
[1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol has a molecular weight of 174.63 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroethyl)-5-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 124706619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).