4-bromo-1-cyclobutylpyrazole

C7H9BrN2 — CID 66521455

IUPAC4-bromo-1-cyclobutylpyrazole
SMILESBrc1cnn(C2CCC2)c1
InChIInChI=1S/C7H9BrN2/c8-6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyWILOMGXFNRGZMJ-UHFFFAOYSA-N
MW201.07 g/mol
LogP2.37
Rot. Bonds1

About 4-bromo-1-cyclobutylpyrazole

4-bromo-1-cyclobutylpyrazole (PubChem CID 66521455) has the molecular formula C7H9BrN2 and a molecular weight of 201.07 g/mol. Its IUPAC name is 4-bromo-1-cyclobutylpyrazole.

Molecular Properties

Compound Name4-bromo-1-cyclobutylpyrazole
PubChem CID66521455
Molecular FormulaC7H9BrN2
Molecular Weight201.07 g/mol
Exact Mass199.99
IUPAC Name4-bromo-1-cyclobutylpyrazole
SMILESBrc1cnn(C2CCC2)c1
InChIInChI=1S/C7H9BrN2/c8-6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2
InChIKeyWILOMGXFNRGZMJ-UHFFFAOYSA-N
XLogP2.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.07
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclobutylpyrazole?
The IUPAC name of 4-bromo-1-cyclobutylpyrazole (CID 66521455) is 4-bromo-1-cyclobutylpyrazole.
What is the SMILES notation for 4-bromo-1-cyclobutylpyrazole?
The canonical SMILES for 4-bromo-1-cyclobutylpyrazole is Brc1cnn(C2CCC2)c1.
What is the InChIKey of 4-bromo-1-cyclobutylpyrazole?
The InChIKey is WILOMGXFNRGZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2/c8-6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2.
What are the key properties of 4-bromo-1-cyclobutylpyrazole?
4-bromo-1-cyclobutylpyrazole has a molecular weight of 201.07 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclobutylpyrazole is sourced from PubChem (CID 66521455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).