N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide

C15H17N3O2S — CID 99799587

IUPACN-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide
SMILESC#CC(C)(C)N(C)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O2S/c1-5-15(2,3)17(4)21(19,20)14-11-16-18(12-14)13-9-7-6-8-10-13/h1,6-12H,2-4H3
InChIKeyGVDXCTLLOVJENN-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.90
Rot. Bonds4

About N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide

N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 99799587) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide
PubChem CID99799587
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide
SMILESC#CC(C)(C)N(C)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H17N3O2S/c1-5-15(2,3)17(4)21(19,20)14-11-16-18(12-14)13-9-7-6-8-10-13/h1,6-12H,2-4H3
InChIKeyGVDXCTLLOVJENN-UHFFFAOYSA-N
XLogP1.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-N-methyl-1-phenylpyrazole-4-sulfonamide
CID 47092048
N-methyl-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 119979118
methyl (2S)-2-methyl-3-[methyl-(1-phenylpyrazol-4-yl)sulfonylamino]propanoate
CID 94811742
N-ethyl-2-[ethyl-(1-phenylpyrazol-4-yl)sulfonylamino]acetamide
CID 51094143
2,3,4-trifluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26541420
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
2-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 51126282
N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
CID 119987043
N-(4-cyanophenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093668
4-chloro-2-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17495378
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide (CID 99799587) is N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide is C#CC(C)(C)N(C)S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GVDXCTLLOVJENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-5-15(2,3)17(4)21(19,20)14-11-16-18(12-14)13-9-7-6-8-10-13/h1,6-12H,2-4H3.
What are the key properties of N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide?
N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylbut-3-yn-2-yl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 99799587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).