3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

C6H6BrFN2 — CID 105456951

IUPAC3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESFC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C6H6BrFN2/c7-6-5-3(8)1-2-4(5)9-10-6/h3H,1-2H2,(H,9,10)
InChIKeyCGHWIMPRMXSLFC-UHFFFAOYSA-N
MW205.03 g/mol
LogP2.13
Rot. Bonds

About 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole

3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole (PubChem CID 105456951) has the molecular formula C6H6BrFN2 and a molecular weight of 205.03 g/mol. Its IUPAC name is 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole.

Molecular Properties

Compound Name3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
PubChem CID105456951
Molecular FormulaC6H6BrFN2
Molecular Weight205.03 g/mol
Exact Mass203.97
IUPAC Name3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
SMILESFC1CCc2[nH]nc(Br)c21
InChIInChI=1S/C6H6BrFN2/c7-6-5-3(8)1-2-4(5)9-10-6/h3H,1-2H2,(H,9,10)
InChIKeyCGHWIMPRMXSLFC-UHFFFAOYSA-N
XLogP2.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.03
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The IUPAC name of 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole (CID 105456951) is 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole.
What is the SMILES notation for 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The canonical SMILES for 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole is FC1CCc2[nH]nc(Br)c21.
What is the InChIKey of 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
The InChIKey is CGHWIMPRMXSLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrFN2/c7-6-5-3(8)1-2-4(5)9-10-6/h3H,1-2H2,(H,9,10).
What are the key properties of 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole?
3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole has a molecular weight of 205.03 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-1,4,5,6-tetrahydrocyclopenta[c]pyrazole is sourced from PubChem (CID 105456951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).