5-bromo-1-(3-fluorocyclohexyl)pyrazole

C9H12BrFN2 — CID 84737476

IUPAC5-bromo-1-(3-fluorocyclohexyl)pyrazole
SMILESFC1CCCC(n2nccc2Br)C1
InChIInChI=1S/C9H12BrFN2/c10-9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2
InChIKeyXSTYETMRWNXEIT-UHFFFAOYSA-N
MW247.11 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-1-(3-fluorocyclohexyl)pyrazole

5-bromo-1-(3-fluorocyclohexyl)pyrazole (PubChem CID 84737476) has the molecular formula C9H12BrFN2 and a molecular weight of 247.11 g/mol. Its IUPAC name is 5-bromo-1-(3-fluorocyclohexyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(3-fluorocyclohexyl)pyrazole
PubChem CID84737476
Molecular FormulaC9H12BrFN2
Molecular Weight247.11 g/mol
Exact Mass246.02
IUPAC Name5-bromo-1-(3-fluorocyclohexyl)pyrazole
SMILESFC1CCCC(n2nccc2Br)C1
InChIInChI=1S/C9H12BrFN2/c10-9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2
InChIKeyXSTYETMRWNXEIT-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.11
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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5-(chloromethyl)-1-cyclohexylpyrazole
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2-bromo-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-fluorocyclohexyl)pyrazole?
The IUPAC name of 5-bromo-1-(3-fluorocyclohexyl)pyrazole (CID 84737476) is 5-bromo-1-(3-fluorocyclohexyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(3-fluorocyclohexyl)pyrazole?
The canonical SMILES for 5-bromo-1-(3-fluorocyclohexyl)pyrazole is FC1CCCC(n2nccc2Br)C1.
What is the InChIKey of 5-bromo-1-(3-fluorocyclohexyl)pyrazole?
The InChIKey is XSTYETMRWNXEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2/c10-9-4-5-12-13(9)8-3-1-2-7(11)6-8/h4-5,7-8H,1-3,6H2.
What are the key properties of 5-bromo-1-(3-fluorocyclohexyl)pyrazole?
5-bromo-1-(3-fluorocyclohexyl)pyrazole has a molecular weight of 247.11 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(3-fluorocyclohexyl)pyrazole is sourced from PubChem (CID 84737476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).