(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol

C7H8F2N2O — CID 105435724

IUPAC(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)(F)CC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h12H,1-3H2,(H,10,11)
InChIKeyZRNHWGIBWLWPIJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.94
Rot. Bonds1

About (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol

(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol (PubChem CID 105435724) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
PubChem CID105435724
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol
SMILESOCc1n[nH]c2c1C(F)(F)CC2
InChIInChI=1S/C7H8F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h12H,1-3H2,(H,10,11)
InChIKeyZRNHWGIBWLWPIJ-UHFFFAOYSA-N
XLogP0.94
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The IUPAC name of (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol (CID 105435724) is (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol.
What is the SMILES notation for (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The canonical SMILES for (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol is OCc1n[nH]c2c1C(F)(F)CC2.
What is the InChIKey of (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
The InChIKey is ZRNHWGIBWLWPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c8-7(9)2-1-4-6(7)5(3-12)11-10-4/h12H,1-3H2,(H,10,11).
What are the key properties of (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol?
(4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol has a molecular weight of 174.15 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-5,6-dihydro-1H-cyclopenta[c]pyrazol-3-yl)methanol is sourced from PubChem (CID 105435724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).