5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide

C10H20N4O2S — CID 82459830

IUPAC5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCC(C)C)c1N
InChIInChI=1S/C10H20N4O2S/c1-4-14-10(11)9(7-12-14)17(15,16)13-6-5-8(2)3/h7-8,13H,4-6,11H2,1-3H3
InChIKeyWNVSJJJGCJWMQW-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.81
Rot. Bonds6

About 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide

5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide (PubChem CID 82459830) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
PubChem CID82459830
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCCC(C)C)c1N
InChIInChI=1S/C10H20N4O2S/c1-4-14-10(11)9(7-12-14)17(15,16)13-6-5-8(2)3/h7-8,13H,4-6,11H2,1-3H3
InChIKeyWNVSJJJGCJWMQW-UHFFFAOYSA-N
XLogP0.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
CID 82459881
5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
CID 82459893
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
CID 82459873
1-ethyl-5-methyl-N-undecylpyrazole-4-sulfonamide
CID 19681472
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552
N-[3-(dimethylamino)propyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19681729
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
N-(3-aminobutyl)-2-ethylpyrazole-3-sulfonamide;hydrochloride
CID 120708509
5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
CID 82459937
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide (CID 82459830) is 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCCC(C)C)c1N.
What is the InChIKey of 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide?
The InChIKey is WNVSJJJGCJWMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-4-14-10(11)9(7-12-14)17(15,16)13-6-5-8(2)3/h7-8,13H,4-6,11H2,1-3H3.
What are the key properties of 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide?
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide has a molecular weight of 260.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82459830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).