2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

C16H21N5O3 — CID 121162979

IUPAC2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H21N5O3/c1-2-23-12-16(22)20-10-6-13(7-11-20)24-15-5-4-14(18-19-15)21-9-3-8-17-21/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyLMJZITQWGDOEGG-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.07
Rot. Bonds6

About 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone

2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (PubChem CID 121162979) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
PubChem CID121162979
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C16H21N5O3/c1-2-23-12-16(22)20-10-6-13(7-11-20)24-15-5-4-14(18-19-15)21-9-3-8-17-21/h3-5,8-9,13H,2,6-7,10-12H2,1H3
InChIKeyLMJZITQWGDOEGG-UHFFFAOYSA-N
XLogP1.07
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-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

Related Compounds

2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163056
2-(2-fluorophenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163060
N-propyl-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163347
2-(4-fluorophenyl)sulfanyl-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163128
(2,6-difluorophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163019
2-(2,4-difluorophenyl)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163240
N-(2-methoxyethyl)-4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 121163340
(4-iodophenyl)-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163196
oxan-4-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163206
2-ethoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798598
1-adamantyl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121162974
naphthalen-2-yl-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 121163039

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone (CID 121162979) is 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is CCOCC(=O)N1CCC(Oc2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
The InChIKey is LMJZITQWGDOEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-2-23-12-16(22)20-10-6-13(7-11-20)24-15-5-4-14(18-19-15)21-9-3-8-17-21/h3-5,8-9,13H,2,6-7,10-12H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone?
2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone has a molecular weight of 331.38 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone is sourced from PubChem (CID 121162979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).