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

C18H24N4O — CID 110101819

IUPAC1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(-c3ccnn3C(C)C)c2)CC1
InChIInChI=1S/C18H24N4O/c1-13(2)22-18(5-9-20-22)17-12-16(4-8-19-17)15-6-10-21(11-7-15)14(3)23/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyCMIRASNJKWHOBQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.25
Rot. Bonds3

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

1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110101819) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110101819
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccnc(-c3ccnn3C(C)C)c2)CC1
InChIInChI=1S/C18H24N4O/c1-13(2)22-18(5-9-20-22)17-12-16(4-8-19-17)15-6-10-21(11-7-15)14(3)23/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3
InChIKeyCMIRASNJKWHOBQ-UHFFFAOYSA-N
XLogP3.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.25
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-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone (CID 110101819) is 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccnc(-c3ccnn3C(C)C)c2)CC1.
What is the InChIKey of 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is CMIRASNJKWHOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13(2)22-18(5-9-20-22)17-12-16(4-8-19-17)15-6-10-21(11-7-15)14(3)23/h4-5,8-9,12-13,15H,6-7,10-11H2,1-3H3.
What are the key properties of 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone?
1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-propan-2-ylpyrazol-3-yl)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110101819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).