3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide

C12H24N4O2S — CID 61125115

IUPAC3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCC(C)C)c(N)n1
InChIInChI=1S/C12H24N4O2S/c1-4-8-16-9-11(12(13)15-16)19(17,18)14-7-5-6-10(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeySIJUBOGZOKNXGT-UHFFFAOYSA-N
MW288.42 g/mol
LogP1.59
Rot. Bonds8

About 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 61125115) has the molecular formula C12H24N4O2S and a molecular weight of 288.42 g/mol. Its IUPAC name is 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
PubChem CID61125115
Molecular FormulaC12H24N4O2S
Molecular Weight288.42 g/mol
Exact Mass288.16
IUPAC Name3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCC(C)C)c(N)n1
InChIInChI=1S/C12H24N4O2S/c1-4-8-16-9-11(12(13)15-16)19(17,18)14-7-5-6-10(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeySIJUBOGZOKNXGT-UHFFFAOYSA-N
XLogP1.59
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 51.59
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-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-1-propyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115515192
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-propylpyrazole-4-sulfonamide
CID 80683751
3-amino-N-(2-cyclopentylethyl)-1-propylpyrazole-4-sulfonamide
CID 60919717
3-amino-1-ethyl-N-(3-hydroxybutyl)pyrazole-4-sulfonamide
CID 64929208
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-propylacetamide
CID 60809447
3-amino-N-(2-methoxy-2-methylpropyl)-1-propylpyrazole-4-sulfonamide
CID 104758504
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784
3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814018
3-amino-1-ethyl-N-(4-hydroxybutyl)pyrazole-4-sulfonamide
CID 106840218

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide (CID 61125115) is 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NCCCC(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is SIJUBOGZOKNXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2S/c1-4-8-16-9-11(12(13)15-16)19(17,18)14-7-5-6-10(2)3/h9-10,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 288.42 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 61125115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).