4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol

C13H15FN2O — CID 89488447

IUPAC4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol
SMILESOCCCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN2O/c14-11-6-4-10(5-7-11)13-9-12(15-16-13)3-1-2-8-17/h4-7,9,17H,1-3,8H2,(H,15,16)
InChIKeyULUSFFBJTZBCKY-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.53
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol

4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol (PubChem CID 89488447) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol
PubChem CID89488447
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol
SMILESOCCCCc1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN2O/c14-11-6-4-10(5-7-11)13-9-12(15-16-13)3-1-2-8-17/h4-7,9,17H,1-3,8H2,(H,15,16)
InChIKeyULUSFFBJTZBCKY-UHFFFAOYSA-N
XLogP2.53
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol (CID 89488447) is 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol is OCCCCc1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol?
The InChIKey is ULUSFFBJTZBCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-6-4-10(5-7-11)13-9-12(15-16-13)3-1-2-8-17/h4-7,9,17H,1-3,8H2,(H,15,16).
What are the key properties of 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol?
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]butan-1-ol is sourced from PubChem (CID 89488447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).