1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one

C23H24FN3O — CID 71842280

IUPAC1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H24FN3O/c24-21-7-4-8-22(15-21)27-17-20(16-25-27)19-11-13-26(14-12-19)23(28)10-9-18-5-2-1-3-6-18/h1-8,15-17,19H,9-14H2
InChIKeyHEMLCEDTIHLVCM-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.35
Rot. Bonds5

About 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one

1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 71842280) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID71842280
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1
InChIInChI=1S/C23H24FN3O/c24-21-7-4-8-22(15-21)27-17-20(16-25-27)19-11-13-26(14-12-19)23(28)10-9-18-5-2-1-3-6-18/h1-8,15-17,19H,9-14H2
InChIKeyHEMLCEDTIHLVCM-UHFFFAOYSA-N
XLogP4.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-1-[4-(1-phenylpyrazol-4-yl)piperidin-1-yl]ethanone
CID 53149268
2-(3-fluorophenyl)-1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]ethanone
CID 71842289
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 87011006
3-(3-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110887276
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 95820069
1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 134020721
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353
N-[2-[4-(3-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-4-phenylbutanamide
CID 113097698
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one (CID 71842280) is 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(c2cnn(-c3cccc(F)c3)c2)CC1.
What is the InChIKey of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HEMLCEDTIHLVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-21-7-4-8-22(15-21)27-17-20(16-25-27)19-11-13-26(14-12-19)23(28)10-9-18-5-2-1-3-6-18/h1-8,15-17,19H,9-14H2.
What are the key properties of 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 377.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 71842280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).