5-bromo-1-cyclobutylpyrazol-4-ol

C7H9BrN2O — CID 117233141

IUPAC5-bromo-1-cyclobutylpyrazol-4-ol
SMILESOc1cnn(C2CCC2)c1Br
InChIInChI=1S/C7H9BrN2O/c8-7-6(11)4-9-10(7)5-2-1-3-5/h4-5,11H,1-3H2
InChIKeyMJMIAVKBZRNJQS-UHFFFAOYSA-N
MW217.07 g/mol
LogP2.08
Rot. Bonds1

About 5-bromo-1-cyclobutylpyrazol-4-ol

5-bromo-1-cyclobutylpyrazol-4-ol (PubChem CID 117233141) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 5-bromo-1-cyclobutylpyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-cyclobutylpyrazol-4-ol
PubChem CID117233141
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name5-bromo-1-cyclobutylpyrazol-4-ol
SMILESOc1cnn(C2CCC2)c1Br
InChIInChI=1S/C7H9BrN2O/c8-7-6(11)4-9-10(7)5-2-1-3-5/h4-5,11H,1-3H2
InChIKeyMJMIAVKBZRNJQS-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-cyclobutylpyrazol-4-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 5-bromo-1-cyclobutylpyrazol-4-ol?
The IUPAC name of 5-bromo-1-cyclobutylpyrazol-4-ol (CID 117233141) is 5-bromo-1-cyclobutylpyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-cyclobutylpyrazol-4-ol?
The canonical SMILES for 5-bromo-1-cyclobutylpyrazol-4-ol is Oc1cnn(C2CCC2)c1Br.
What is the InChIKey of 5-bromo-1-cyclobutylpyrazol-4-ol?
The InChIKey is MJMIAVKBZRNJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-7-6(11)4-9-10(7)5-2-1-3-5/h4-5,11H,1-3H2.
What are the key properties of 5-bromo-1-cyclobutylpyrazol-4-ol?
5-bromo-1-cyclobutylpyrazol-4-ol has a molecular weight of 217.07 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclobutylpyrazol-4-ol is sourced from PubChem (CID 117233141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).