3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol

C13H15FN2O — CID 59281335

IUPAC3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CCCO)n1
InChIInChI=1S/C13H15FN2O/c1-10-9-13(16(15-10)7-2-8-17)11-3-5-12(14)6-4-11/h3-6,9,17H,2,7-8H2,1H3
InChIKeyHRUMAMNDVXDWLL-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.38
Rot. Bonds4

About 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol

3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol (PubChem CID 59281335) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol
PubChem CID59281335
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol
SMILESCc1cc(-c2ccc(F)cc2)n(CCCO)n1
InChIInChI=1S/C13H15FN2O/c1-10-9-13(16(15-10)7-2-8-17)11-3-5-12(14)6-4-11/h3-6,9,17H,2,7-8H2,1H3
InChIKeyHRUMAMNDVXDWLL-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol (CID 59281335) is 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol is Cc1cc(-c2ccc(F)cc2)n(CCCO)n1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol?
The InChIKey is HRUMAMNDVXDWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-10-9-13(16(15-10)7-2-8-17)11-3-5-12(14)6-4-11/h3-6,9,17H,2,7-8H2,1H3.
What are the key properties of 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol?
3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol has a molecular weight of 234.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-3-methylpyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 59281335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).