3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide

C16H17N5O3S — CID 16804365

IUPAC3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C16H17N5O3S/c1-10-16(11(2)18-17-10)25(23,24)20-13-6-4-5-12(9-13)14-7-8-15(22)21(3)19-14/h4-9,20H,1-3H3,(H,17,18)
InChIKeyIBQOLPQXYRMDOH-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.59
Rot. Bonds4

About 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 16804365) has the molecular formula C16H17N5O3S and a molecular weight of 359.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID16804365
Molecular FormulaC16H17N5O3S
Molecular Weight359.41 g/mol
Exact Mass359.11
IUPAC Name3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1
InChIInChI=1S/C16H17N5O3S/c1-10-16(11(2)18-17-10)25(23,24)20-13-6-4-5-12(9-13)14-7-8-15(22)21(3)19-14/h4-9,20H,1-3H3,(H,17,18)
InChIKeyIBQOLPQXYRMDOH-UHFFFAOYSA-N
XLogP1.59
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-(3-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 866901
N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3240936
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 6602881
N-(3-ethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3237078
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 15990926
N-benzyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-methylpiperidine-4-carboxamide
CID 15998465
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(1-phenylbutan-2-yl)piperidine-4-carboxamide
CID 16003963
N-(3-Methylphenyl)-2-[N-(4-methylphenyl)3,5-dimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 20855721
2-({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-6-(4-fluorophenyl)-2,3-dihydropyridazin-3-one
CID 126854694
3-[[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-ylidene]-fluoromethyl]-1H-quinolin-2-one
CID 140906471
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16001136
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3-[4-(methanesulfonamido)phenyl]-N-methylprop-2-enamide
CID 55766709

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide (CID 16804365) is 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IBQOLPQXYRMDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3S/c1-10-16(11(2)18-17-10)25(23,24)20-13-6-4-5-12(9-13)14-7-8-15(22)21(3)19-14/h4-9,20H,1-3H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 16804365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).