5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

C12H24N4O2S — CID 82459973

IUPAC5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cnn(C(C)C(C)C)c1N
InChIInChI=1S/C12H24N4O2S/c1-6-9(4)15-19(17,18)11-7-14-16(12(11)13)10(5)8(2)3/h7-10,15H,6,13H2,1-5H3
InChIKeyQQNFSOBWMAJKQR-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.76
Rot. Bonds6

About 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 82459973) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID82459973
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)c1cnn(C(C)C(C)C)c1N
InChIInChI=1S/C12H24N4O2S/c1-6-9(4)15-19(17,18)11-7-14-16(12(11)13)10(5)8(2)3/h7-10,15H,6,13H2,1-5H3
InChIKeyQQNFSOBWMAJKQR-UHFFFAOYSA-N
XLogP1.76
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-pentan-3-yl-N-prop-2-enylpyrazole-4-sulfonamide
CID 82459937
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
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 82459864
1-N-butan-2-yl-2-fluorobenzene-1,4-disulfonamide
CID 47358633
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
N-[(2S)-butan-2-yl]-1-[3-[[(2R)-butan-2-yl]sulfamoyl]-4-methylphenyl]pyrazole-4-sulfonamide
CID 97025466
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
N-(3,3-dimethylbutan-2-yl)-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22201552
4-amino-N-butan-2-yl-2-cyanobenzenesulfonamide
CID 43255660
4-(2-aminoethyl)-N-butan-2-ylbenzenesulfonamide
CID 16643225

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 82459973) is 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is CCC(C)NS(=O)(=O)c1cnn(C(C)C(C)C)c1N.
What is the InChIKey of 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is QQNFSOBWMAJKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-6-9(4)15-19(17,18)11-7-14-16(12(11)13)10(5)8(2)3/h7-10,15H,6,13H2,1-5H3.
What are the key properties of 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-1-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 82459973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).