4-bromo-5-cyclobutyl-1H-pyrazole

C7H9BrN2 — CID 119030797

IUPAC4-bromo-5-cyclobutyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCC1
InChIInChI=1S/C7H9BrN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)
InChIKeyVLYANEUKGQQIGS-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.44
Rot. Bonds1

About 4-bromo-5-cyclobutyl-1H-pyrazole

4-bromo-5-cyclobutyl-1H-pyrazole (PubChem CID 119030797) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 4-bromo-5-cyclobutyl-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclobutyl-1H-pyrazole
PubChem CID119030797
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name4-bromo-5-cyclobutyl-1H-pyrazole
SMILESBrc1cn[nH]c1C1CCC1
InChIInChI=1S/C7H9BrN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10)
InChIKeyVLYANEUKGQQIGS-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclobutyl-1H-pyrazole?
The IUPAC name of 4-bromo-5-cyclobutyl-1H-pyrazole (CID 119030797) is 4-bromo-5-cyclobutyl-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-cyclobutyl-1H-pyrazole?
The canonical SMILES for 4-bromo-5-cyclobutyl-1H-pyrazole is Brc1cn[nH]c1C1CCC1.
What is the InChIKey of 4-bromo-5-cyclobutyl-1H-pyrazole?
The InChIKey is VLYANEUKGQQIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-6-4-9-10-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,9,10).
What are the key properties of 4-bromo-5-cyclobutyl-1H-pyrazole?
4-bromo-5-cyclobutyl-1H-pyrazole has a molecular weight of 201.07 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclobutyl-1H-pyrazole is sourced from PubChem (CID 119030797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).