2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

C20H22N6O2 — CID 122338976

IUPAC2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H22N6O2/c1-16-5-2-3-6-17(16)28-15-20(27)25-13-11-24(12-14-25)18-7-8-19(23-22-18)26-10-4-9-21-26/h2-10H,11-15H2,1H3
InChIKeyYDQWKWBSEHZFMF-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.70
Rot. Bonds5

About 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone

2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 122338976) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID122338976
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1
InChIInChI=1S/C20H22N6O2/c1-16-5-2-3-6-17(16)28-15-20(27)25-13-11-24(12-14-25)18-7-8-19(23-22-18)26-10-4-9-21-26/h2-10H,11-15H2,1H3
InChIKeyYDQWKWBSEHZFMF-UHFFFAOYSA-N
XLogP1.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163056
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 35376587
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-2-pyrimidin-2-yloxyethanone
CID 70703856
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031
2-(2-methylphenoxy)-1-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122349075
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 2669189
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 122350758
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
2-pyrimidin-2-yloxy-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121086814

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone (CID 122338976) is 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is Cc1ccccc1OCC(=O)N1CCN(c2ccc(-n3cccn3)nn2)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is YDQWKWBSEHZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-16-5-2-3-6-17(16)28-15-20(27)25-13-11-24(12-14-25)18-7-8-19(23-22-18)26-10-4-9-21-26/h2-10H,11-15H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone?
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 378.44 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 122338976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).