3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide

C9H16N4O3S — CID 105359128

IUPAC3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CCOC2)c(N)nn1C
InChIInChI=1S/C9H16N4O3S/c1-6-8(9(10)11-13(6)2)17(14,15)12-7-3-4-16-5-7/h7,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGKXYCRDGWGPTJL-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.62
Rot. Bonds3

About 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 105359128) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID105359128
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NC2CCOC2)c(N)nn1C
InChIInChI=1S/C9H16N4O3S/c1-6-8(9(10)11-13(6)2)17(14,15)12-7-3-4-16-5-7/h7,12H,3-5H2,1-2H3,(H2,10,11)
InChIKeyGKXYCRDGWGPTJL-UHFFFAOYSA-N
XLogP-0.62
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 105641613
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105641823
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-1,5-dimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazole-4-sulfonamide
CID 105926817
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 106165579
5-amino-N-ethyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82459997
5-amino-1,3-dimethyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 82459998
5-amino-N-cyclopropyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82459999
5-amino-N-butyl-1,3-dimethylpyrazole-4-sulfonamide
CID 82460005
5-amino-N-(3-ethoxypropyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 82460007
5-amino-1,3-dimethyl-N-(3-propan-2-yloxypropyl)pyrazole-4-sulfonamide
CID 82460008

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 105359128) is 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NC2CCOC2)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is GKXYCRDGWGPTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c1-6-8(9(10)11-13(6)2)17(14,15)12-7-3-4-16-5-7/h7,12H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).