[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

C18H24N4O — CID 164836489

IUPAC[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Cc1cnn(C2CCN(C(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-14(2)11-15-12-20-22(13-15)16-6-9-21(10-7-16)18(23)17-5-3-4-8-19-17/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3
InChIKeyPLCODEOFMKWCPF-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds4

About [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone

[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 164836489) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID164836489
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)Cc1cnn(C2CCN(C(=O)c3ccccn3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-14(2)11-15-12-20-22(13-15)16-6-9-21(10-7-16)18(23)17-5-3-4-8-19-17/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3
InChIKeyPLCODEOFMKWCPF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 164836489) is [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is CC(C)Cc1cnn(C2CCN(C(=O)c3ccccn3)CC2)c1.
What is the InChIKey of [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is PLCODEOFMKWCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14(2)11-15-12-20-22(13-15)16-6-9-21(10-7-16)18(23)17-5-3-4-8-19-17/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3.
What are the key properties of [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 312.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 164836489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).