2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone

C18H23ClN4O2 — CID 118787314

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(C(O)c3ccccn3)CC2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(21-12)11-16(24)22-9-6-14(7-10-22)18(25)15-5-3-4-8-20-15/h3-5,8,14,18,25H,6-7,9-11H2,1-2H3
InChIKeyLZEPGRLONOKARZ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 118787314) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
PubChem CID118787314
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
SMILESCc1nn(CC(=O)N2CCC(C(O)c3ccccn3)CC2)c(C)c1Cl
InChIInChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(21-12)11-16(24)22-9-6-14(7-10-22)18(25)15-5-3-4-8-20-15/h3-5,8,14,18,25H,6-7,9-11H2,1-2H3
InChIKeyLZEPGRLONOKARZ-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone (CID 118787314) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone is Cc1nn(CC(=O)N2CCC(C(O)c3ccccn3)CC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is LZEPGRLONOKARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-12-17(19)13(2)23(21-12)11-16(24)22-9-6-14(7-10-22)18(25)15-5-3-4-8-20-15/h3-5,8,14,18,25H,6-7,9-11H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 362.86 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118787314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).