3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide

C13H26N4O2S — CID 60808316

IUPAC3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CCC(C)C)c(N)n1
InChIInChI=1S/C13H26N4O2S/c1-5-8-17-9-12(13(14)15-17)20(18,19)16-11(4)7-6-10(2)3/h9-11,16H,5-8H2,1-4H3,(H2,14,15)
InChIKeyVVCNPXPASITGSK-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.98
Rot. Bonds8

About 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide

3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60808316) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
PubChem CID60808316
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)CCC(C)C)c(N)n1
InChIInChI=1S/C13H26N4O2S/c1-5-8-17-9-12(13(14)15-17)20(18,19)16-11(4)7-6-10(2)3/h9-11,16H,5-8H2,1-4H3,(H2,14,15)
InChIKeyVVCNPXPASITGSK-UHFFFAOYSA-N
XLogP1.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
CID 60814855
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
CID 60810102
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-1-propyl-N-(1-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 60808797
3-amino-N-but-2-ynyl-1-propylpyrazole-4-sulfonamide
CID 113464453
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-propylpyrazole-4-sulfonamide
CID 107843691
3-amino-N-cyclopentyl-1-propylpyrazole-4-sulfonamide
CID 54922795
3-amino-N-[(4-methylcyclohexyl)methyl]-1-propylpyrazole-4-sulfonamide
CID 63242905
3-amino-1-ethyl-N-octan-4-ylpyrazole-4-sulfonamide
CID 106022099
3-amino-N-(1-methylcyclobutyl)-1-propylpyrazole-4-sulfonamide
CID 113485263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide (CID 60808316) is 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)CCC(C)C)c(N)n1.
What is the InChIKey of 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is VVCNPXPASITGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-5-8-17-9-12(13(14)15-17)20(18,19)16-11(4)7-6-10(2)3/h9-11,16H,5-8H2,1-4H3,(H2,14,15).
What are the key properties of 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).