[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone

C20H19FN4O — CID 53006264

IUPAC[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C20H19FN4O/c21-16-6-8-17(9-7-16)25-19(15-5-4-10-22-14-15)13-18(23-25)20(26)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2
InChIKeyKMPIPQPEIAMNQI-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.70
Rot. Bonds3

About [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone

[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 53006264) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID53006264
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCCCC1
InChIInChI=1S/C20H19FN4O/c21-16-6-8-17(9-7-16)25-19(15-5-4-10-22-14-15)13-18(23-25)20(26)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2
InChIKeyKMPIPQPEIAMNQI-UHFFFAOYSA-N
XLogP3.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone (CID 53006264) is [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone is O=C(c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1)N1CCCCC1.
What is the InChIKey of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KMPIPQPEIAMNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-6-8-17(9-7-16)25-19(15-5-4-10-22-14-15)13-18(23-25)20(26)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2.
What are the key properties of [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone?
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 350.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53006264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).