3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C14H19N3O2S — CID 42282457

IUPAC3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17-9-14(12(4)15-17)20(18,19)16-13-7-5-11(3)6-8-13/h5-10,16H,1-4H3
InChIKeyRSSWQCWMLCSJDL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.88
Rot. Bonds4

About 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 42282457) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID42282457
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17-9-14(12(4)15-17)20(18,19)16-13-7-5-11(3)6-8-13/h5-10,16H,1-4H3
InChIKeyRSSWQCWMLCSJDL-UHFFFAOYSA-N
XLogP2.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282469
3-methyl-N-(4-phenoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282486
methyl 4-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzoate
CID 42282484
N-[3-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 42282551
3-methyl-5-[(3-methyl-1-propan-2-ylpyrazol-4-yl)sulfonylamino]benzamide
CID 167775799
N-(2-chlorophenyl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282465
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282522
3-methyl-1-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42282470
3-methyl-1-propan-2-yl-N-propylpyrazole-4-sulfonamide
CID 42282361
N-(2,4-dioxo-1H-pyrimidin-5-yl)-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282564
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 42282516
N-(4-methylphenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174059

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 42282457) is 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2C)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is RSSWQCWMLCSJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)17-9-14(12(4)15-17)20(18,19)16-13-7-5-11(3)6-8-13/h5-10,16H,1-4H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42282457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).