3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole

C6H5BrF2N2 — CID 105480199

IUPAC3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole
SMILESFC1(F)CCc2[nH]nc(Br)c21
InChIInChI=1S/C6H5BrF2N2/c7-5-4-3(10-11-5)1-2-6(4,8)9/h1-2H2,(H,10,11)
InChIKeyGWURSHYZNUPQMI-UHFFFAOYSA-N
MW223.02 g/mol
LogP2.21
Rot. Bonds

About 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole

3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole (PubChem CID 105480199) has the molecular formula C6H5BrF2N2 and a molecular weight of 223.02 g/mol. Its IUPAC name is 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole
PubChem CID105480199
Molecular FormulaC6H5BrF2N2
Molecular Weight223.02 g/mol
Exact Mass221.96
IUPAC Name3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole
SMILESFC1(F)CCc2[nH]nc(Br)c21
InChIInChI=1S/C6H5BrF2N2/c7-5-4-3(10-11-5)1-2-6(4,8)9/h1-2H2,(H,10,11)
InChIKeyGWURSHYZNUPQMI-UHFFFAOYSA-N
XLogP2.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The IUPAC name of 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole (CID 105480199) is 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole.
What is the SMILES notation for 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The canonical SMILES for 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole is FC1(F)CCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole?
The InChIKey is GWURSHYZNUPQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrF2N2/c7-5-4-3(10-11-5)1-2-6(4,8)9/h1-2H2,(H,10,11).
What are the key properties of 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole?
3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole has a molecular weight of 223.02 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazole is sourced from PubChem (CID 105480199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).