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

C8H11BrN2O — CID 146650423

IUPAC3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cc(Br)cn2)C1
InChIInChI=1S/C8H11BrN2O/c1-8(12)2-7(3-8)11-5-6(9)4-10-11/h4-5,7,12H,2-3H2,1H3
InChIKeyGJZKPWCXCWEWIE-UHFFFAOYSA-N
MW231.09 g/mol
LogP1.73
Rot. Bonds1

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

3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol (PubChem CID 146650423) has the molecular formula C8H11BrN2O and a molecular weight of 231.09 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol
PubChem CID146650423
Molecular FormulaC8H11BrN2O
Molecular Weight231.09 g/mol
Exact Mass230.01
IUPAC Name3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cc(Br)cn2)C1
InChIInChI=1S/C8H11BrN2O/c1-8(12)2-7(3-8)11-5-6(9)4-10-11/h4-5,7,12H,2-3H2,1H3
InChIKeyGJZKPWCXCWEWIE-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-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 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol (CID 146650423) is 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol is CC1(O)CC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol?
The InChIKey is GJZKPWCXCWEWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2O/c1-8(12)2-7(3-8)11-5-6(9)4-10-11/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol?
3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol has a molecular weight of 231.09 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-1-methylcyclobutan-1-ol is sourced from PubChem (CID 146650423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).