5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide

C11H20N4O2S — CID 82459937

IUPAC5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cnn(C(CC)CC)c1N
InChIInChI=1S/C11H20N4O2S/c1-4-7-14-18(16,17)10-8-13-15(11(10)12)9(5-2)6-3/h4,8-9,14H,1,5-7,12H2,2-3H3
InChIKeyJKGIJSLAHYVHCT-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.29
Rot. Bonds7

About 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide

5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide (PubChem CID 82459937) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
PubChem CID82459937
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
SMILESC=CCNS(=O)(=O)c1cnn(C(CC)CC)c1N
InChIInChI=1S/C11H20N4O2S/c1-4-7-14-18(16,17)10-8-13-15(11(10)12)9(5-2)6-3/h4,8-9,14H,1,5-7,12H2,2-3H3
InChIKeyJKGIJSLAHYVHCT-UHFFFAOYSA-N
XLogP1.29
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 82459973
5-amino-1-ethyl-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 82459830
5-amino-1-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 82459866
1-ethyl-3-methyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681806
5-amino-N-butyl-1-propylpyrazole-4-sulfonamide
CID 82459881
2-amino-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 61112895
5-amino-N-methyl-1-propylpyrazole-4-sulfonamide
CID 82459873
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
5-amino-N-(2-methoxyethyl)-1-propylpyrazole-4-sulfonamide
CID 82459893
N-(2-aminoethyl)-1-(difluoromethyl)-5-methylpyrazole-4-sulfonamide
CID 19621228
6-(propan-2-ylamino)-N-prop-2-enylpyridine-3-sulfonamide
CID 98016686
4-(butan-2-ylamino)-3-(prop-2-enylsulfamoyl)benzoic acid
CID 132650504

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide (CID 82459937) is 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide is C=CCNS(=O)(=O)c1cnn(C(CC)CC)c1N.
What is the InChIKey of 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide?
The InChIKey is JKGIJSLAHYVHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-7-14-18(16,17)10-8-13-15(11(10)12)9(5-2)6-3/h4,8-9,14H,1,5-7,12H2,2-3H3.
What are the key properties of 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide?
5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).