4-(4-bromopyrazol-1-yl)oxolan-3-ol

C7H9BrN2O2 — CID 130503201

IUPAC4-(4-bromopyrazol-1-yl)oxolan-3-ol
SMILESOC1COCC1n1cc(Br)cn1
InChIInChI=1S/C7H9BrN2O2/c8-5-1-9-10(2-5)6-3-12-4-7(6)11/h1-2,6-7,11H,3-4H2
InChIKeyZPXVCUUYYAWRKI-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.58
Rot. Bonds1

About 4-(4-bromopyrazol-1-yl)oxolan-3-ol

4-(4-bromopyrazol-1-yl)oxolan-3-ol (PubChem CID 130503201) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)oxolan-3-ol
PubChem CID130503201
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name4-(4-bromopyrazol-1-yl)oxolan-3-ol
SMILESOC1COCC1n1cc(Br)cn1
InChIInChI=1S/C7H9BrN2O2/c8-5-1-9-10(2-5)6-3-12-4-7(6)11/h1-2,6-7,11H,3-4H2
InChIKeyZPXVCUUYYAWRKI-UHFFFAOYSA-N
XLogP0.58
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromopyrazol-1-yl)oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)oxolan-3-ol?
The IUPAC name of 4-(4-bromopyrazol-1-yl)oxolan-3-ol (CID 130503201) is 4-(4-bromopyrazol-1-yl)oxolan-3-ol.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)oxolan-3-ol?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)oxolan-3-ol is OC1COCC1n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)oxolan-3-ol?
The InChIKey is ZPXVCUUYYAWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c8-5-1-9-10(2-5)6-3-12-4-7(6)11/h1-2,6-7,11H,3-4H2.
What are the key properties of 4-(4-bromopyrazol-1-yl)oxolan-3-ol?
4-(4-bromopyrazol-1-yl)oxolan-3-ol has a molecular weight of 233.06 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)oxolan-3-ol is sourced from PubChem (CID 130503201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).