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

C7H9BrN2O — CID 155892656

IUPAC3-(4-bromopyrazol-1-yl)cyclobutan-1-ol
SMILESOC1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O/c8-5-3-9-10(4-5)6-1-7(11)2-6/h3-4,6-7,11H,1-2H2
InChIKeyIAEKCKWLGJXLDS-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.34
Rot. Bonds1

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

3-(4-bromopyrazol-1-yl)cyclobutan-1-ol (PubChem CID 155892656) has the molecular formula C7H9BrN2O and a molecular weight of 217.07 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)cyclobutan-1-ol
PubChem CID155892656
Molecular FormulaC7H9BrN2O
Molecular Weight217.07 g/mol
Exact Mass215.99
IUPAC Name3-(4-bromopyrazol-1-yl)cyclobutan-1-ol
SMILESOC1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C7H9BrN2O/c8-5-3-9-10(4-5)6-1-7(11)2-6/h3-4,6-7,11H,1-2H2
InChIKeyIAEKCKWLGJXLDS-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol?
The IUPAC name of 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol (CID 155892656) is 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol is OC1CC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol?
The InChIKey is IAEKCKWLGJXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O/c8-5-3-9-10(4-5)6-1-7(11)2-6/h3-4,6-7,11H,1-2H2.
What are the key properties of 3-(4-bromopyrazol-1-yl)cyclobutan-1-ol?
3-(4-bromopyrazol-1-yl)cyclobutan-1-ol has a molecular weight of 217.07 g/mol, XLogP of 1.34, 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)cyclobutan-1-ol is sourced from PubChem (CID 155892656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).