4-bromo-1-(3,3-difluorocyclopentyl)pyrazole

C8H9BrF2N2 — CID 84737722

IUPAC4-bromo-1-(3,3-difluorocyclopentyl)pyrazole
SMILESFC1(F)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C8H9BrF2N2/c9-6-4-12-13(5-6)7-1-2-8(10,11)3-7/h4-5,7H,1-3H2
InChIKeyVBCIEXODKKYEBJ-UHFFFAOYSA-N
MW251.07 g/mol
LogP3.01
Rot. Bonds1

About 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole

4-bromo-1-(3,3-difluorocyclopentyl)pyrazole (PubChem CID 84737722) has the molecular formula C8H9BrF2N2 and a molecular weight of 251.07 g/mol. Its IUPAC name is 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(3,3-difluorocyclopentyl)pyrazole
PubChem CID84737722
Molecular FormulaC8H9BrF2N2
Molecular Weight251.07 g/mol
Exact Mass249.99
IUPAC Name4-bromo-1-(3,3-difluorocyclopentyl)pyrazole
SMILESFC1(F)CCC(n2cc(Br)cn2)C1
InChIInChI=1S/C8H9BrF2N2/c9-6-4-12-13(5-6)7-1-2-8(10,11)3-7/h4-5,7H,1-3H2
InChIKeyVBCIEXODKKYEBJ-UHFFFAOYSA-N
XLogP3.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole?
The IUPAC name of 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole (CID 84737722) is 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole?
The canonical SMILES for 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole is FC1(F)CCC(n2cc(Br)cn2)C1.
What is the InChIKey of 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole?
The InChIKey is VBCIEXODKKYEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrF2N2/c9-6-4-12-13(5-6)7-1-2-8(10,11)3-7/h4-5,7H,1-3H2.
What are the key properties of 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole?
4-bromo-1-(3,3-difluorocyclopentyl)pyrazole has a molecular weight of 251.07 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,3-difluorocyclopentyl)pyrazole is sourced from PubChem (CID 84737722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).