3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide

C17H23N7O2S — CID 71857787

IUPAC3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(-n2nc(C)cc2NS(=O)(=O)c2c(C)nn(C(C)C)c2C)nn1
InChIInChI=1S/C17H23N7O2S/c1-10(2)23-14(6)17(13(5)21-23)27(25,26)22-16-9-12(4)20-24(16)15-8-7-11(3)18-19-15/h7-10,22H,1-6H3
InChIKeyBZAMZZNSIZPQMX-UHFFFAOYSA-N
MW389.49 g/mol
LogP2.47
Rot. Bonds5

About 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide

3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71857787) has the molecular formula C17H23N7O2S and a molecular weight of 389.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71857787
Molecular FormulaC17H23N7O2S
Molecular Weight389.49 g/mol
Exact Mass389.16
IUPAC Name3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(-n2nc(C)cc2NS(=O)(=O)c2c(C)nn(C(C)C)c2C)nn1
InChIInChI=1S/C17H23N7O2S/c1-10(2)23-14(6)17(13(5)21-23)27(25,26)22-16-9-12(4)20-24(16)15-8-7-11(3)18-19-15/h7-10,22H,1-6H3
InChIKeyBZAMZZNSIZPQMX-UHFFFAOYSA-N
XLogP2.47
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71857787) is 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide is Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2c(C)nn(C(C)C)c2C)nn1.
What is the InChIKey of 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is BZAMZZNSIZPQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S/c1-10(2)23-14(6)17(13(5)21-23)27(25,26)22-16-9-12(4)20-24(16)15-8-7-11(3)18-19-15/h7-10,22H,1-6H3.
What are the key properties of 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide?
3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 389.49 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[5-methyl-2-(6-methylpyridazin-3-yl)pyrazol-3-yl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71857787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).