1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol

C13H15FN2O — CID 21491513

IUPAC1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(-c2cccc(F)c2)cn1
InChIInChI=1S/C13H15FN2O/c1-2-13(17)9-16-8-11(7-15-16)10-4-3-5-12(14)6-10/h3-8,13,17H,2,9H2,1H3
InChIKeyALKGEMWIGLPGIO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.46
Rot. Bonds4

About 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol

1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol (PubChem CID 21491513) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol
PubChem CID21491513
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol
SMILESCCC(O)Cn1cc(-c2cccc(F)c2)cn1
InChIInChI=1S/C13H15FN2O/c1-2-13(17)9-16-8-11(7-15-16)10-4-3-5-12(14)6-10/h3-8,13,17H,2,9H2,1H3
InChIKeyALKGEMWIGLPGIO-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol?
The IUPAC name of 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol (CID 21491513) is 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol?
The canonical SMILES for 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol is CCC(O)Cn1cc(-c2cccc(F)c2)cn1.
What is the InChIKey of 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol?
The InChIKey is ALKGEMWIGLPGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-2-13(17)9-16-8-11(7-15-16)10-4-3-5-12(14)6-10/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol?
1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorophenyl)pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 21491513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).