3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide

C10H20N4O2S — CID 61168847

IUPAC3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)C)c(N)n1
InChIInChI=1S/C10H20N4O2S/c1-5-14-6-8(9(11)13-14)17(15,16)12-7-10(2,3)4/h6,12H,5,7H2,1-4H3,(H2,11,13)
InChIKeyRVZMFMRSJWKRSQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.81
Rot. Bonds4

About 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide

3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 61168847) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
PubChem CID61168847
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(C)(C)C)c(N)n1
InChIInChI=1S/C10H20N4O2S/c1-5-14-6-8(9(11)13-14)17(15,16)12-7-10(2,3)4/h6,12H,5,7H2,1-4H3,(H2,11,13)
InChIKeyRVZMFMRSJWKRSQ-UHFFFAOYSA-N
XLogP0.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-1-ethyl-N-(2-methyl-2-methylsulfonylpropyl)pyrazole-4-sulfonamide
CID 79551640
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106274993
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
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
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
1-(3-amino-1-ethylpyrazol-4-yl)sulfonyl-3-tert-butylurea
CID 116646497

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide (CID 61168847) is 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(C)(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is RVZMFMRSJWKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-5-14-6-8(9(11)13-14)17(15,16)12-7-10(2,3)4/h6,12H,5,7H2,1-4H3,(H2,11,13).
What are the key properties of 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 61168847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).