1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide

C12H16N4O2S — CID 19683131

IUPAC1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)nc1
InChIInChI=1S/C12H16N4O2S/c1-8-5-6-11(13-7-8)15-19(17,18)12-9(2)14-16(4)10(12)3/h5-7H,1-4H3,(H,13,15)
InChIKeyPPEKJBGNAKHTDD-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.54
Rot. Bonds3

About 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide

1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 19683131) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
PubChem CID19683131
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)nc1
InChIInChI=1S/C12H16N4O2S/c1-8-5-6-11(13-7-8)15-19(17,18)12-9(2)14-16(4)10(12)3/h5-7H,1-4H3,(H,13,15)
InChIKeyPPEKJBGNAKHTDD-UHFFFAOYSA-N
XLogP1.54
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-(5-methyl-2-pyridinyl)-1-phenylpyrazole-4-sulfonamide
CID 19683137
1,3,5-trimethyl-N-(1-methylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 22209066
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
N-(5-ethyl-1H-pyrazol-3-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104620651
N-(5-methyl-2-pyridinyl)-6-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 122351537
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 43452486
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654103
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114051879
N-(2,4-dibromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773601
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide (CID 19683131) is 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)nc1.
What is the InChIKey of 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is PPEKJBGNAKHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-8-5-6-11(13-7-8)15-19(17,18)12-9(2)14-16(4)10(12)3/h5-7H,1-4H3,(H,13,15).
What are the key properties of 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-(5-methyl-2-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19683131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).