2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C21H24N6O2 — CID 122345868

IUPAC2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-16-3-5-18(6-4-16)29-15-21(28)26-13-11-25(12-14-26)19-7-8-20(23-22-19)27-10-9-17(2)24-27/h3-10H,11-15H2,1-2H3
InChIKeyLPQASVDYFKKMNL-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.01
Rot. Bonds5

About 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 122345868) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID122345868
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-16-3-5-18(6-4-16)29-15-21(28)26-13-11-25(12-14-26)19-7-8-20(23-22-19)27-10-9-17(2)24-27/h3-10H,11-15H2,1-2H3
InChIKeyLPQASVDYFKKMNL-UHFFFAOYSA-N
XLogP2.01
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345870
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122334054
2-(4-methoxyphenoxy)-1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334342
(4-butoxyphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034127
2-(4-fluorophenoxy)-1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 110727442
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
N,N-dimethyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 133291071
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 122345972
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122332287
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenoxyethanone
CID 121113684

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 122345868) is 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCN(c3ccc(-n4ccc(C)n4)nn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is LPQASVDYFKKMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-16-3-5-18(6-4-16)29-15-21(28)26-13-11-25(12-14-26)19-7-8-20(23-22-19)27-10-9-17(2)24-27/h3-10H,11-15H2,1-2H3.
What are the key properties of 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 392.46 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122345868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).