[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone

C21H20FN3O — CID 882738

IUPAC[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H20FN3O/c22-17-11-9-16(10-12-17)20-19(21(26)24-13-5-2-6-14-24)15-25(23-20)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14H2
InChIKeyGOQJOWTYGSFMRK-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.30
Rot. Bonds3

About [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone

[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 882738) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone
PubChem CID882738
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C21H20FN3O/c22-17-11-9-16(10-12-17)20-19(21(26)24-13-5-2-6-14-24)15-25(23-20)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14H2
InChIKeyGOQJOWTYGSFMRK-UHFFFAOYSA-N
XLogP4.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone (CID 882738) is [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is GOQJOWTYGSFMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-17-11-9-16(10-12-17)20-19(21(26)24-13-5-2-6-14-24)15-25(23-20)18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14H2.
What are the key properties of [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone?
[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 349.41 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 882738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).