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

C14H14N4O2S — CID 154673911

IUPAC1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
SMILESCc1ccc(S(=O)(=O)c2c(C)nnc3c2cnn3C)cc1
InChIInChI=1S/C14H14N4O2S/c1-9-4-6-11(7-5-9)21(19,20)13-10(2)16-17-14-12(13)8-15-18(14)3/h4-8H,1-3H3
InChIKeySWUKMZRNJQGBGQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.81
Rot. Bonds2

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

1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine (PubChem CID 154673911) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine.

Molecular Properties

Compound Name1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
PubChem CID154673911
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine
SMILESCc1ccc(S(=O)(=O)c2c(C)nnc3c2cnn3C)cc1
InChIInChI=1S/C14H14N4O2S/c1-9-4-6-11(7-5-9)21(19,20)13-10(2)16-17-14-12(13)8-15-18(14)3/h4-8H,1-3H3
InChIKeySWUKMZRNJQGBGQ-UHFFFAOYSA-N
XLogP1.81
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The IUPAC name of 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine (CID 154673911) is 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine.
What is the SMILES notation for 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The canonical SMILES for 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine is Cc1ccc(S(=O)(=O)c2c(C)nnc3c2cnn3C)cc1.
What is the InChIKey of 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
The InChIKey is SWUKMZRNJQGBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-4-6-11(7-5-9)21(19,20)13-10(2)16-17-14-12(13)8-15-18(14)3/h4-8H,1-3H3.
What are the key properties of 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine?
1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine has a molecular weight of 302.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazine is sourced from PubChem (CID 154673911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).