3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

C11H16F2N2O — CID 90162237

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCC2O
InChIInChI=1S/C11H16F2N2O/c1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13/h6,8,16H,4-5H2,1-3H3
InChIKeyPNCGRKGBJGGXEH-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.56
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol

3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (PubChem CID 90162237) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
PubChem CID90162237
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol
SMILESCC(C)n1nc(C(C)(F)F)c2c1CCC2O
InChIInChI=1S/C11H16F2N2O/c1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13/h6,8,16H,4-5H2,1-3H3
InChIKeyPNCGRKGBJGGXEH-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol (CID 90162237) is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is CC(C)n1nc(C(C)(F)F)c2c1CCC2O.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
The InChIKey is PNCGRKGBJGGXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-6(2)15-7-4-5-8(16)9(7)10(14-15)11(3,12)13/h6,8,16H,4-5H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol?
3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol has a molecular weight of 230.26 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-ol is sourced from PubChem (CID 90162237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).