3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine

C16H22N6O2S — CID 122339362

IUPAC3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nn2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-11-13(2)22(19-12)16-6-5-15(17-18-16)20-7-9-21(10-8-20)25(23,24)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyLTZHFRCBXJOJNF-UHFFFAOYSA-N
MW362.46 g/mol
LogP0.89
Rot. Bonds4

About 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine

3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine (PubChem CID 122339362) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
PubChem CID122339362
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine
SMILESCc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nn2)n1
InChIInChI=1S/C16H22N6O2S/c1-12-11-13(2)22(19-12)16-6-5-15(17-18-16)20-7-9-21(10-8-20)25(23,24)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyLTZHFRCBXJOJNF-UHFFFAOYSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-6-(4-propylsulfonylpiperazin-1-yl)pyridazine
CID 121034232
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]pyridazine
CID 122339379
3-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 112818291
3-[4-(3-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-(3,5-dimethylpyrazol-1-yl)pyridazine
CID 122339361
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121034155
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339376
4-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 171324110
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
N-[5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 122339410
N-cyclopropyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 56764773
6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122339407
methyl 3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonylthiophene-2-carboxylate
CID 122339369

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The IUPAC name of 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine (CID 122339362) is 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine.
What is the SMILES notation for 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The canonical SMILES for 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine is Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)nn2)n1.
What is the InChIKey of 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
The InChIKey is LTZHFRCBXJOJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-12-11-13(2)22(19-12)16-6-5-15(17-18-16)20-7-9-21(10-8-20)25(23,24)14-3-4-14/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine?
3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine has a molecular weight of 362.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(3,5-dimethylpyrazol-1-yl)pyridazine is sourced from PubChem (CID 122339362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).