3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide

C11H20N4O3S — CID 103338407

IUPAC3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H20N4O3S/c1-5-6-15(7-8-18-4)19(16,17)10-9(2)14(3)13-11(10)12/h5H,1,6-8H2,2-4H3,(H2,12,13)
InChIKeyYXBCTSKHBNINAK-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.13
Rot. Bonds7

About 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide

3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 103338407) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID103338407
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCN(CCOC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H20N4O3S/c1-5-6-15(7-8-18-4)19(16,17)10-9(2)14(3)13-11(10)12/h5H,1,6-8H2,2-4H3,(H2,12,13)
InChIKeyYXBCTSKHBNINAK-UHFFFAOYSA-N
XLogP0.13
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
3-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 107478051
3-[2-Methoxyethyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanimidamide
CID 64413521
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-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide (CID 103338407) is 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCN(CCOC)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is YXBCTSKHBNINAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-5-6-15(7-8-18-4)19(16,17)10-9(2)14(3)13-11(10)12/h5H,1,6-8H2,2-4H3,(H2,12,13).
What are the key properties of 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide?
3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 288.37 g/mol, XLogP of 0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-1,5-dimethyl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 103338407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).