5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

C9H17N3O2S — CID 60910712

IUPAC5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C9H17N3O2S/c1-6(2)7(3)12-15(13,14)9-5-10-11-8(9)4/h5-7,12H,1-4H3,(H,10,11)
InChIKeyDSYQFDFGGGEOIM-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.04
Rot. Bonds4

About 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60910712) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60910712
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)C(C)C
InChIInChI=1S/C9H17N3O2S/c1-6(2)7(3)12-15(13,14)9-5-10-11-8(9)4/h5-7,12H,1-4H3,(H,10,11)
InChIKeyDSYQFDFGGGEOIM-UHFFFAOYSA-N
XLogP1.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanoate
CID 81005814
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
N-[(2R)-2-hydroxypropyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 83030940
N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61249472
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54953963
N,4-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]pentanamide
CID 61274278
2-methyl-N-[2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethyl]propanamide
CID 61248904
(2R)-4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]butanoic acid
CID 104933894
N-(3-bromo-2-methylpropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114298151

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 60910712) is 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)C(C)C.
What is the InChIKey of 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DSYQFDFGGGEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-6(2)7(3)12-15(13,14)9-5-10-11-8(9)4/h5-7,12H,1-4H3,(H,10,11).
What are the key properties of 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 231.32 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60910712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).