5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide

C8H16N4O2S — CID 82459998

IUPAC5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C8H16N4O2S/c1-5(2)11-15(13,14)7-6(3)10-12(4)8(7)9/h5,11H,9H2,1-4H3
InChIKeyJQSLAOQKIZDRFC-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.00
Rot. Bonds3

About 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide

5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 82459998) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
PubChem CID82459998
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(N)c1S(=O)(=O)NC(C)C
InChIInChI=1S/C8H16N4O2S/c1-5(2)11-15(13,14)7-6(3)10-12(4)8(7)9/h5,11H,9H2,1-4H3
InChIKeyJQSLAOQKIZDRFC-UHFFFAOYSA-N
XLogP-0.00
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-methylethanesulfonamide
CID 51105083
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]-N-propan-2-ylmethanesulfonamide
CID 51105102
N-[3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]propyl]ethanesulfonamide
CID 51105420
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949

Frequently Asked Questions

What is the IUPAC name of 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide (CID 82459998) is 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide is Cc1nn(C)c(N)c1S(=O)(=O)NC(C)C.
What is the InChIKey of 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is JQSLAOQKIZDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-5(2)11-15(13,14)7-6(3)10-12(4)8(7)9/h5,11H,9H2,1-4H3.
What are the key properties of 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide?
5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).