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

C8H16N4O2S — CID 60810253

IUPAC5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O2S/c1-5(2)6(3)12-15(13,14)7-4-10-11-8(7)9/h4-6,12H,1-3H3,(H3,9,10,11)
InChIKeyVYLQDTMMPCBOBA-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.31
Rot. Bonds4

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

5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60810253) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60810253
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O2S/c1-5(2)6(3)12-15(13,14)7-4-10-11-8(7)9/h4-6,12H,1-3H3,(H3,9,10,11)
InChIKeyVYLQDTMMPCBOBA-UHFFFAOYSA-N
XLogP0.31
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61463527
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
5-amino-N-(6-methylheptan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61108156
4-(aminomethyl)-N-(3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106029958
5-amino-N-[4-(dimethylamino)butan-2-yl]-1H-pyrazole-4-sulfonamide
CID 54963921
5-amino-N-(1-thiophen-2-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60810093
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
5-amino-N-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazole-4-sulfonamide
CID 79353081
5-amino-N-(3-methylpentan-3-yl)-1H-pyrazole-4-sulfonamide
CID 106327836
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide (CID 60810253) is 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is CC(C)C(C)NS(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is VYLQDTMMPCBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-5(2)6(3)12-15(13,14)7-4-10-11-8(7)9/h4-6,12H,1-3H3,(H3,9,10,11).
What are the key properties of 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60810253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).