1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide

C25H34N6O2S — CID 50844126

IUPAC1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)NCCN4CCCCC4C)c3C)nn2)cc1C
InChIInChI=1S/C25H34N6O2S/c1-17-9-10-22(16-18(17)2)23-11-12-24(28-27-23)31-21(5)25(20(4)29-31)34(32,33)26-13-15-30-14-7-6-8-19(30)3/h9-12,16,19,26H,6-8,13-15H2,1-5H3
InChIKeyJZDMURFKUBHGCC-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.72
Rot. Bonds7

About 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 50844126) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID50844126
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)NCCN4CCCCC4C)c3C)nn2)cc1C
InChIInChI=1S/C25H34N6O2S/c1-17-9-10-22(16-18(17)2)23-11-12-24(28-27-23)31-21(5)25(20(4)29-31)34(32,33)26-13-15-30-14-7-6-8-19(30)3/h9-12,16,19,26H,6-8,13-15H2,1-5H3
InChIKeyJZDMURFKUBHGCC-UHFFFAOYSA-N
XLogP3.72
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide (CID 50844126) is 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide is Cc1ccc(-c2ccc(-n3nc(C)c(S(=O)(=O)NCCN4CCCCC4C)c3C)nn2)cc1C.
What is the InChIKey of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is JZDMURFKUBHGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-17-9-10-22(16-18(17)2)23-11-12-24(28-27-23)31-21(5)25(20(4)29-31)34(32,33)26-13-15-30-14-7-6-8-19(30)3/h9-12,16,19,26H,6-8,13-15H2,1-5H3.
What are the key properties of 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide?
1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 482.65 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 50844126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).