4-bromo-1-(4,4-difluorocyclohexyl)pyrazole

C9H11BrF2N2 — CID 84738478

IUPAC4-bromo-1-(4,4-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H11BrF2N2/c10-7-5-13-14(6-7)8-1-3-9(11,12)4-2-8/h5-6,8H,1-4H2
InChIKeyFGBLZEAYOVMMJV-UHFFFAOYSA-N
MW265.10 g/mol
LogP3.40
Rot. Bonds1

About 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole

4-bromo-1-(4,4-difluorocyclohexyl)pyrazole (PubChem CID 84738478) has the molecular formula C9H11BrF2N2 and a molecular weight of 265.10 g/mol. Its IUPAC name is 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(4,4-difluorocyclohexyl)pyrazole
PubChem CID84738478
Molecular FormulaC9H11BrF2N2
Molecular Weight265.10 g/mol
Exact Mass264.01
IUPAC Name4-bromo-1-(4,4-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C9H11BrF2N2/c10-7-5-13-14(6-7)8-1-3-9(11,12)4-2-8/h5-6,8H,1-4H2
InChIKeyFGBLZEAYOVMMJV-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole?
The IUPAC name of 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole (CID 84738478) is 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole?
The canonical SMILES for 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole is FC1(F)CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole?
The InChIKey is FGBLZEAYOVMMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF2N2/c10-7-5-13-14(6-7)8-1-3-9(11,12)4-2-8/h5-6,8H,1-4H2.
What are the key properties of 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole?
4-bromo-1-(4,4-difluorocyclohexyl)pyrazole has a molecular weight of 265.10 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4,4-difluorocyclohexyl)pyrazole is sourced from PubChem (CID 84738478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).