3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide

C11H21N5O3S — CID 106274993

IUPAC3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)C(=O)NC)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-5-16-6-8(9(12)15-16)20(18,19)14-7-11(2,3)10(17)13-4/h6,14H,5,7H2,1-4H3,(H2,12,15)(H,13,17)
InChIKeyYHJOCOUMBFSGFJ-UHFFFAOYSA-N
MW303.39 g/mol
LogP-0.46
Rot. Bonds6

About 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide

3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide (PubChem CID 106274993) has the molecular formula C11H21N5O3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
PubChem CID106274993
Molecular FormulaC11H21N5O3S
Molecular Weight303.39 g/mol
Exact Mass303.14
IUPAC Name3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)C(=O)NC)c(N)n1
InChIInChI=1S/C11H21N5O3S/c1-5-16-6-8(9(12)15-16)20(18,19)14-7-11(2,3)10(17)13-4/h6,14H,5,7H2,1-4H3,(H2,12,15)(H,13,17)
InChIKeyYHJOCOUMBFSGFJ-UHFFFAOYSA-N
XLogP-0.46
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
CID 116646497
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-1-ethyl-N-[(4-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 60813353
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide (CID 106274993) is 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide is CCn1cc(S(=O)(=O)NCC(C)(C)C(=O)NC)c(N)n1.
What is the InChIKey of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide?
The InChIKey is YHJOCOUMBFSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S/c1-5-16-6-8(9(12)15-16)20(18,19)14-7-11(2,3)10(17)13-4/h6,14H,5,7H2,1-4H3,(H2,12,15)(H,13,17).
What are the key properties of 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide?
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide has a molecular weight of 303.39 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106274993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).