N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide

C8H13N3O2S — CID 115967817

IUPACN-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5H,1,6H2,2-3H3,(H,9,10)
InChIKeyNGRHNDICKADEEV-UHFFFAOYSA-N
MW215.28 g/mol
LogP0.61
Rot. Bonds4

About N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide

N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115967817) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide
PubChem CID115967817
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H13N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5H,1,6H2,2-3H3,(H,9,10)
InChIKeyNGRHNDICKADEEV-UHFFFAOYSA-N
XLogP0.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclobutylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 62855891
N-[(4-ethylphenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 54934032
N-butan-2-yl-N-methyl-1H-pyrazole-4-sulfonamide
CID 60916490
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
N-(2-amino-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
CID 63766211
N-[(2-fluorophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47267533
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 64511314
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 60917171
2-methyl-2-[methyl(1H-pyrazol-4-ylsulfonyl)amino]propanoic acid
CID 62818527
2-[2-methoxyethyl(1H-pyrazol-4-ylsulfonyl)amino]-N,N-dimethylacetamide
CID 54877062
4-chloro-3-(hydroxymethyl)-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498824
methyl 2-[propyl(1H-pyrazol-4-ylsulfonyl)amino]acetate
CID 47268116

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide (CID 115967817) is N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide is C=C(C)CN(C)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is NGRHNDICKADEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-7(2)6-11(3)14(12,13)8-4-9-10-5-8/h4-5H,1,6H2,2-3H3,(H,9,10).
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide?
N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 215.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115967817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).