3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide

C12H24N4O2S — CID 105358385

IUPAC3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-5-6-7-8-9(2)15-19(17,18)11-10(3)16(4)14-12(11)13/h9,15H,5-8H2,1-4H3,(H2,13,14)
InChIKeyDTCJQXFRISPBDD-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.56
Rot. Bonds7

About 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105358385) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105358385
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H24N4O2S/c1-5-6-7-8-9(2)15-19(17,18)11-10(3)16(4)14-12(11)13/h9,15H,5-8H2,1-4H3,(H2,13,14)
InChIKeyDTCJQXFRISPBDD-UHFFFAOYSA-N
XLogP1.56
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1,5-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 105358699
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 107869091
3-amino-N-[1-(4-bromophenyl)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358529
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
CID 103171433
2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 105359223
1-ethyl-5-methyl-N-octan-2-ylpyrazole-4-sulfonamide
CID 19684235
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358853
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide (CID 105358385) is 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide is CCCCCC(C)NS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is DTCJQXFRISPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-5-6-7-8-9(2)15-19(17,18)11-10(3)16(4)14-12(11)13/h9,15H,5-8H2,1-4H3,(H2,13,14).
What are the key properties of 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-heptan-2-yl-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105358385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).