[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C20H19FN4O — CID 71836807

IUPAC[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C20H19FN4O/c21-16-6-4-14(5-7-16)18-13-19(24-23-18)15-8-11-25(12-9-15)20(26)17-3-1-2-10-22-17/h1-7,10,13,15H,8-9,11-12H2,(H,23,24)
InChIKeyALVBMICPMWTGRH-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.63
Rot. Bonds3

About [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 71836807) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID71836807
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1
InChIInChI=1S/C20H19FN4O/c21-16-6-4-14(5-7-16)18-13-19(24-23-18)15-8-11-25(12-9-15)20(26)17-3-1-2-10-22-17/h1-7,10,13,15H,8-9,11-12H2,(H,23,24)
InChIKeyALVBMICPMWTGRH-UHFFFAOYSA-N
XLogP3.63
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 71836807) is [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CCC(c2cc(-c3ccc(F)cc3)n[nH]2)CC1.
What is the InChIKey of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is ALVBMICPMWTGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c21-16-6-4-14(5-7-16)18-13-19(24-23-18)15-8-11-25(12-9-15)20(26)17-3-1-2-10-22-17/h1-7,10,13,15H,8-9,11-12H2,(H,23,24).
What are the key properties of [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 350.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 71836807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).