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

C18H21FN2O2 — CID 14576185

IUPAC6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid
SMILESO=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H21FN2O2/c19-13-9-11-14(12-10-13)21-17-7-4-5-15(17)16(20-21)6-2-1-3-8-18(22)23/h9-12H,1-8H2,(H,22,23)
InChIKeyATKJHNBCLRVTRE-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.69
Rot. Bonds7

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

6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid (PubChem CID 14576185) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid
PubChem CID14576185
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid
SMILESO=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H21FN2O2/c19-13-9-11-14(12-10-13)21-17-7-4-5-15(17)16(20-21)6-2-1-3-8-18(22)23/h9-12H,1-8H2,(H,22,23)
InChIKeyATKJHNBCLRVTRE-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid?
The IUPAC name of 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid (CID 14576185) is 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid.
What is the SMILES notation for 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid?
The canonical SMILES for 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid is O=C(O)CCCCCc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid?
The InChIKey is ATKJHNBCLRVTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-13-9-11-14(12-10-13)21-17-7-4-5-15(17)16(20-21)6-2-1-3-8-18(22)23/h9-12H,1-8H2,(H,22,23).
What are the key properties of 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid?
6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid has a molecular weight of 316.38 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]hexanoic acid is sourced from PubChem (CID 14576185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).