4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole

C10H14BrFN2 — CID 138656079

IUPAC4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole
SMILESCC1(F)CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H14BrFN2/c1-10(12)4-2-9(3-5-10)14-7-8(11)6-13-14/h6-7,9H,2-5H2,1H3
InChIKeyPUVZFQDZULCMDG-UHFFFAOYSA-N
MW261.14 g/mol
LogP3.49
Rot. Bonds1

About 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole

4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole (PubChem CID 138656079) has the molecular formula C10H14BrFN2 and a molecular weight of 261.14 g/mol. Its IUPAC name is 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole
PubChem CID138656079
Molecular FormulaC10H14BrFN2
Molecular Weight261.14 g/mol
Exact Mass260.03
IUPAC Name4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole
SMILESCC1(F)CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C10H14BrFN2/c1-10(12)4-2-9(3-5-10)14-7-8(11)6-13-14/h6-7,9H,2-5H2,1H3
InChIKeyPUVZFQDZULCMDG-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole?
The IUPAC name of 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole (CID 138656079) is 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole?
The canonical SMILES for 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole is CC1(F)CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole?
The InChIKey is PUVZFQDZULCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2/c1-10(12)4-2-9(3-5-10)14-7-8(11)6-13-14/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole?
4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole has a molecular weight of 261.14 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole is sourced from PubChem (CID 138656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).