1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

C9H17N3O2S — CID 19681194

IUPAC1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H17N3O2S/c1-7(2)5-10-15(13,14)9-6-12(4)11-8(9)3/h6-7,10H,5H2,1-4H3
InChIKeyYCKBGTFICGSIAJ-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.66
Rot. Bonds4

About 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (PubChem CID 19681194) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
PubChem CID19681194
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C9H17N3O2S/c1-7(2)5-10-15(13,14)9-6-12(4)11-8(9)3/h6-7,10H,5H2,1-4H3
InChIKeyYCKBGTFICGSIAJ-UHFFFAOYSA-N
XLogP0.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51853666
1,3-dimethyl-N-undecylpyrazole-4-sulfonamide
CID 19681469
1,3-dimethyl-N-octylpyrazole-4-sulfonamide
CID 19681357
N-hexyl-1,3-dimethylpyrazole-4-sulfonamide
CID 19681255
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51505008
N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499811
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
N-[(4-fluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 19584272
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259
N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 42282214
N-[(2,6-difluorophenyl)methyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 42282271
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 46966777

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide (CID 19681194) is 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
The InChIKey is YCKBGTFICGSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-7(2)5-10-15(13,14)9-6-12(4)11-8(9)3/h6-7,10H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19681194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).