3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine

C20H24N6O3S — CID 122346034

IUPAC3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)CCOc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C20H24N6O3S/c1-17-9-10-26(23-17)20-8-7-19(21-22-20)24-11-13-25(14-12-24)30(27,28)16-15-29-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyKMJSGGUEPGWEGL-UHFFFAOYSA-N
MW428.52 g/mol
LogP1.50
Rot. Bonds7

About 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine

3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine (PubChem CID 122346034) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
PubChem CID122346034
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine
SMILESCc1ccn(-c2ccc(N3CCN(S(=O)(=O)CCOc4ccccc4)CC3)nn2)n1
InChIInChI=1S/C20H24N6O3S/c1-17-9-10-26(23-17)20-8-7-19(21-22-20)24-11-13-25(14-12-24)30(27,28)16-15-29-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKeyKMJSGGUEPGWEGL-UHFFFAOYSA-N
XLogP1.50
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyrimidine
CID 122341206
3-[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346060
3-[4-(2,4-dichloro-5-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 122346010
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 56921399
(4-butoxyphenyl)-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121034127
1-(2-chlorophenyl)-4-(2-phenoxyethylsulfonyl)piperazine
CID 56764843
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 70703419
2-(4-methylphenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345868
[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenoxyphenyl)methanone
CID 122345851
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 56922896
2-(4-fluorophenoxy)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345870
2-methyl-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 133290882

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine (CID 122346034) is 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine is Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)CCOc4ccccc4)CC3)nn2)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine?
The InChIKey is KMJSGGUEPGWEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-17-9-10-26(23-17)20-8-7-19(21-22-20)24-11-13-25(14-12-24)30(27,28)16-15-29-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3.
What are the key properties of 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine?
3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine has a molecular weight of 428.52 g/mol, XLogP of 1.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-6-[4-(2-phenoxyethylsulfonyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 122346034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).