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

C13H13FN2O — CID 14576145

IUPAC[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-13-3-1-2-11(13)12(8-17)15-16/h4-7,17H,1-3,8H2
InChIKeyXSPDMVAJWYZZIQ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.99
Rot. Bonds2

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

[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol (PubChem CID 14576145) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
PubChem CID14576145
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol
SMILESOCc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-13-3-1-2-11(13)12(8-17)15-16/h4-7,17H,1-3,8H2
InChIKeyXSPDMVAJWYZZIQ-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol (CID 14576145) is [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol is OCc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol?
The InChIKey is XSPDMVAJWYZZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-9-4-6-10(7-5-9)16-13-3-1-2-11(13)12(8-17)15-16/h4-7,17H,1-3,8H2.
What are the key properties of [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol?
[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol has a molecular weight of 232.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanol is sourced from PubChem (CID 14576145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).