4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole

C11H16BrIN2 — CID 79785555

IUPAC4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole
SMILESCC1CC(C)CC(n2cc(Br)c(I)n2)C1
InChIInChI=1S/C11H16BrIN2/c1-7-3-8(2)5-9(4-7)15-6-10(12)11(13)14-15/h6-9H,3-5H2,1-2H3
InChIKeyDYABRJSVKYEWPL-UHFFFAOYSA-N
MW383.07 g/mol
LogP4.25
Rot. Bonds1

About 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole

4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole (PubChem CID 79785555) has the molecular formula C11H16BrIN2 and a molecular weight of 383.07 g/mol. Its IUPAC name is 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole.

Molecular Properties

Compound Name4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole
PubChem CID79785555
Molecular FormulaC11H16BrIN2
Molecular Weight383.07 g/mol
Exact Mass381.95
IUPAC Name4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole
SMILESCC1CC(C)CC(n2cc(Br)c(I)n2)C1
InChIInChI=1S/C11H16BrIN2/c1-7-3-8(2)5-9(4-7)15-6-10(12)11(13)14-15/h6-9H,3-5H2,1-2H3
InChIKeyDYABRJSVKYEWPL-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.07
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-Bromo-1-(cyclohexylmethyl)pyrazole
CID 46739498
1-(1-Adamantyl)-4-bromo-1h-pyrazole
CID 13164491
4-bromo-1-[[(3S,4S)-3-fluoro-4-iodocyclopentyl]methyl]pyrazole
CID 137388787
4-Bromo-1-(4-fluoro-4-methylcyclohexyl)pyrazole
CID 138656079
4-Bromo-1-[(3,3-difluorocyclohexyl)methyl]pyrazole
CID 130487492
4-Bromo-1-[(2,2-difluorocyclohexyl)methyl]pyrazole
CID 130991715
1-(Cyclohexylmethyl)-4-iodo-1h-pyrazole
CID 22730685
4-Bromo-1-(4-methylcyclohexyl)pyrazole
CID 64775278
4-Bromo-1-(spiro[3.5]nonan-7-ylmethyl)pyrazole
CID 89498527
4-Bromo-1-(trans-2-methylcyclohexyl)-1H-pyrazole
CID 121378372
4-bromo-1-(2-methylcyclohexyl)-1H-pyrazole
CID 121378373
4-bromo-1-[(1S,2S)-2-methylcyclohexyl]pyrazole
CID 121378410

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole?
The IUPAC name of 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole (CID 79785555) is 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole.
What is the SMILES notation for 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole?
The canonical SMILES for 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole is CC1CC(C)CC(n2cc(Br)c(I)n2)C1.
What is the InChIKey of 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole?
The InChIKey is DYABRJSVKYEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrIN2/c1-7-3-8(2)5-9(4-7)15-6-10(12)11(13)14-15/h6-9H,3-5H2,1-2H3.
What are the key properties of 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole?
4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole has a molecular weight of 383.07 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,5-dimethylcyclohexyl)-3-iodopyrazole is sourced from PubChem (CID 79785555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).