1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol

C7H11ClN2O — CID 70566742

IUPAC1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(C(C)O)c(C)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-4-7(8)5(2)10(9-4)6(3)11/h6,11H,1-3H3
InChIKeyHCLACZGNKLEIBV-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.66
Rot. Bonds1

About 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol

1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 70566742) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
PubChem CID70566742
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(C(C)O)c(C)c1Cl
InChIInChI=1S/C7H11ClN2O/c1-4-7(8)5(2)10(9-4)6(3)11/h6,11H,1-3H3
InChIKeyHCLACZGNKLEIBV-UHFFFAOYSA-N
XLogP1.66
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol (CID 70566742) is 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol is Cc1nn(C(C)O)c(C)c1Cl.
What is the InChIKey of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is HCLACZGNKLEIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-4-7(8)5(2)10(9-4)6(3)11/h6,11H,1-3H3.
What are the key properties of 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol?
1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 174.63 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 70566742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).