3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine

C16H20N8O2S — CID 56765882

IUPAC3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C16H20N8O2S/c1-12-16(13(2)19-18-12)27(25,26)24-9-7-22(8-10-24)14-3-4-15(21-20-14)23-6-5-17-11-23/h3-6,11H,7-10H2,1-2H3,(H,18,19)
InChIKeyZRCYNXKHXKQXQD-UHFFFAOYSA-N
MW388.46 g/mol
LogP0.51
Rot. Bonds4

About 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine

3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine (PubChem CID 56765882) has the molecular formula C16H20N8O2S and a molecular weight of 388.46 g/mol. Its IUPAC name is 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine
PubChem CID56765882
Molecular FormulaC16H20N8O2S
Molecular Weight388.46 g/mol
Exact Mass388.14
IUPAC Name3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C16H20N8O2S/c1-12-16(13(2)19-18-12)27(25,26)24-9-7-22(8-10-24)14-3-4-15(21-20-14)23-6-5-17-11-23/h3-6,11H,7-10H2,1-2H3,(H,18,19)
InChIKeyZRCYNXKHXKQXQD-UHFFFAOYSA-N
XLogP0.51
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The IUPAC name of 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine (CID 56765882) is 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine.
What is the SMILES notation for 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The canonical SMILES for 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine?
The InChIKey is ZRCYNXKHXKQXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2S/c1-12-16(13(2)19-18-12)27(25,26)24-9-7-22(8-10-24)14-3-4-15(21-20-14)23-6-5-17-11-23/h3-6,11H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine?
3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine has a molecular weight of 388.46 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-6-imidazol-1-ylpyridazine is sourced from PubChem (CID 56765882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).