1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone

C18H24N4O — CID 118740171

IUPAC1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3
InChIKeyWORYPDFXQFVTJO-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone

1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 118740171) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID118740171
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1
InChIInChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3
InChIKeyWORYPDFXQFVTJO-UHFFFAOYSA-N
XLogP3.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (CID 118740171) is 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is CCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1.
What is the InChIKey of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is WORYPDFXQFVTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-3-10-22-18(5-9-20-22)17-13-16(4-8-19-17)15-6-11-21(12-7-15)14(2)23/h4-5,8-9,13,15H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-propylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).