4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one

C16H20FN3O — CID 11208491

IUPAC4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c17-14-6-4-13(5-7-14)15-12-20(18-16(15)21)11-10-19-8-2-1-3-9-19/h4-7,12H,1-3,8-11H2,(H,18,21)
InChIKeyCMJUTPBJVUTFOO-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.47
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one

4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one (PubChem CID 11208491) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one
PubChem CID11208491
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one
SMILESO=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c17-14-6-4-13(5-7-14)15-12-20(18-16(15)21)11-10-19-8-2-1-3-9-19/h4-7,12H,1-3,8-11H2,(H,18,21)
InChIKeyCMJUTPBJVUTFOO-UHFFFAOYSA-N
XLogP2.47
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one (CID 11208491) is 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one is O=c1[nH]n(CCN2CCCCC2)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one?
The InChIKey is CMJUTPBJVUTFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c17-14-6-4-13(5-7-14)15-12-20(18-16(15)21)11-10-19-8-2-1-3-9-19/h4-7,12H,1-3,8-11H2,(H,18,21).
What are the key properties of 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one?
4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one has a molecular weight of 289.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(2-piperidin-1-ylethyl)-1H-pyrazol-5-one is sourced from PubChem (CID 11208491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).