1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine

C13H12N4O2S — CID 154673895

IUPAC1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
SMILESCc1ccc(S(=O)(=O)c2cnnc3c2cnn3C)cc1
InChIInChI=1S/C13H12N4O2S/c1-9-3-5-10(6-4-9)20(18,19)12-8-14-16-13-11(12)7-15-17(13)2/h3-8H,1-2H3
InChIKeyPWDQUABVKDUEDZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.50
Rot. Bonds2

About 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine

1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine (PubChem CID 154673895) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
PubChem CID154673895
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
SMILESCc1ccc(S(=O)(=O)c2cnnc3c2cnn3C)cc1
InChIInChI=1S/C13H12N4O2S/c1-9-3-5-10(6-4-9)20(18,19)12-8-14-16-13-11(12)7-15-17(13)2/h3-8H,1-2H3
InChIKeyPWDQUABVKDUEDZ-UHFFFAOYSA-N
XLogP1.50
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US10538523, Example 2
CID 129235171
4-(4-Methylphenyl)sulfonyl-1-phenylpyrazolo[5,4-d]pyrimidine
CID 12441363
3-Iodo-1-[2-(4-methylphenyl)sulfonylethyl]pyrazolo[5,4-b]pyridine
CID 69137113
1,5-Dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
CID 154673911
1,5,6-Trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium
CID 154673917
4-[[(1-Methylpyrazolo[5,4-c]pyridazin-4-yl)amino]methyl]benzenesulfonamide
CID 156539573
1-[[4-(Benzenesulfonyl)phenyl]methyl]pyrazolo[5,4-b]pyridine
CID 175840128
2-Methyl-5-(4-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 175920294
1-Methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-d]pyrimidine
CID 85992724
N,1-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 86776303
1-methyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 86808220
N,1-dimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 97832277

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The IUPAC name of 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine (CID 154673895) is 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine is Cc1ccc(S(=O)(=O)c2cnnc3c2cnn3C)cc1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The InChIKey is PWDQUABVKDUEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-9-3-5-10(6-4-9)20(18,19)12-8-14-16-13-11(12)7-15-17(13)2/h3-8H,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine has a molecular weight of 288.33 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine is sourced from PubChem (CID 154673895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).