4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol

C7H3F5N2O — CID 170159447

IUPAC4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol
SMILESOC1(F)C2=C(C(F)(F)F)N=NC2=CC1F
InChIInChI=1S/C7H3F5N2O/c8-3-1-2-4(6(3,9)15)5(14-13-2)7(10,11)12/h1,3,15H
InChIKeyUYVNKSPFOHVKBY-UHFFFAOYSA-N
MW226.10 g/mol
LogP2.16
Rot. Bonds

About 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol

4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol (PubChem CID 170159447) has the molecular formula C7H3F5N2O and a molecular weight of 226.10 g/mol. Its IUPAC name is 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol
PubChem CID170159447
Molecular FormulaC7H3F5N2O
Molecular Weight226.10 g/mol
Exact Mass226.02
IUPAC Name4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol
SMILESOC1(F)C2=C(C(F)(F)F)N=NC2=CC1F
InChIInChI=1S/C7H3F5N2O/c8-3-1-2-4(6(3,9)15)5(14-13-2)7(10,11)12/h1,3,15H
InChIKeyUYVNKSPFOHVKBY-UHFFFAOYSA-N
XLogP2.16
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol?
The IUPAC name of 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol (CID 170159447) is 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol is OC1(F)C2=C(C(F)(F)F)N=NC2=CC1F.
What is the InChIKey of 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol?
The InChIKey is UYVNKSPFOHVKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5N2O/c8-3-1-2-4(6(3,9)15)5(14-13-2)7(10,11)12/h1,3,15H.
What are the key properties of 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol?
4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol has a molecular weight of 226.10 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-3-(trifluoromethyl)-5H-cyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 170159447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).