2-(2-pyrazol-1-ylethoxy)ethanol

C7H12N2O2 — CID 50990682

IUPAC2-(2-pyrazol-1-ylethoxy)ethanol
SMILESOCCOCCn1cccn1
InChIInChI=1S/C7H12N2O2/c10-5-7-11-6-4-9-3-1-2-8-9/h1-3,10H,4-7H2
InChIKeyHAMPMHTUXQNKOS-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.11
Rot. Bonds5

About 2-(2-pyrazol-1-ylethoxy)ethanol

2-(2-pyrazol-1-ylethoxy)ethanol (PubChem CID 50990682) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-(2-pyrazol-1-ylethoxy)ethanol.

Molecular Properties

Compound Name2-(2-pyrazol-1-ylethoxy)ethanol
PubChem CID50990682
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC Name2-(2-pyrazol-1-ylethoxy)ethanol
SMILESOCCOCCn1cccn1
InChIInChI=1S/C7H12N2O2/c10-5-7-11-6-4-9-3-1-2-8-9/h1-3,10H,4-7H2
InChIKeyHAMPMHTUXQNKOS-UHFFFAOYSA-N
XLogP-0.11
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazol-1-ylethoxy)ethanol?
The IUPAC name of 2-(2-pyrazol-1-ylethoxy)ethanol (CID 50990682) is 2-(2-pyrazol-1-ylethoxy)ethanol.
What is the SMILES notation for 2-(2-pyrazol-1-ylethoxy)ethanol?
The canonical SMILES for 2-(2-pyrazol-1-ylethoxy)ethanol is OCCOCCn1cccn1.
What is the InChIKey of 2-(2-pyrazol-1-ylethoxy)ethanol?
The InChIKey is HAMPMHTUXQNKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c10-5-7-11-6-4-9-3-1-2-8-9/h1-3,10H,4-7H2.
What are the key properties of 2-(2-pyrazol-1-ylethoxy)ethanol?
2-(2-pyrazol-1-ylethoxy)ethanol has a molecular weight of 156.19 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazol-1-ylethoxy)ethanol is sourced from PubChem (CID 50990682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).