1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide

C14H26N4O2S — CID 106046344

IUPAC1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cnn(CCCNC2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-3-5-12(2)17-21(19,20)14-10-16-18(11-14)9-4-8-15-13-6-7-13/h10-13,15,17H,3-9H2,1-2H3
InChIKeyHZLKRHNIGDYBFL-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.49
Rot. Bonds10

About 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide

1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide (PubChem CID 106046344) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
PubChem CID106046344
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC Name1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
SMILESCCCC(C)NS(=O)(=O)c1cnn(CCCNC2CC2)c1
InChIInChI=1S/C14H26N4O2S/c1-3-5-12(2)17-21(19,20)14-10-16-18(11-14)9-4-8-15-13-6-7-13/h10-13,15,17H,3-9H2,1-2H3
InChIKeyHZLKRHNIGDYBFL-UHFFFAOYSA-N
XLogP1.49
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.49
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

1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
1-ethyl-N-heptan-2-ylpyrazole-4-sulfonamide
CID 19681322
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
N-(4-ethylsulfanylbutan-2-yl)-1-[3-(methylamino)propyl]pyrazole-4-sulfonamide
CID 106084613
3-[4-(hexan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 62200769
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
4-[2-(cyclopropylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
CID 106046169
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
N-(1-cyclopropylpropan-2-yl)-1-[2-(propan-2-ylamino)ethyl]pyrazole-4-sulfonamide
CID 106065825
N-(1-cyclobutylethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106084908

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide (CID 106046344) is 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide is CCCC(C)NS(=O)(=O)c1cnn(CCCNC2CC2)c1.
What is the InChIKey of 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide?
The InChIKey is HZLKRHNIGDYBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-3-5-12(2)17-21(19,20)14-10-16-18(11-14)9-4-8-15-13-6-7-13/h10-13,15,17H,3-9H2,1-2H3.
What are the key properties of 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide?
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide has a molecular weight of 314.46 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 106046344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).