1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide

C14H28N4O2S — CID 106053678

IUPAC1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NC(C)C(C)CC)cn1
InChIInChI=1S/C14H28N4O2S/c1-5-12(3)13(4)17-21(19,20)14-10-16-18(11-14)9-7-8-15-6-2/h10-13,15,17H,5-9H2,1-4H3
InChIKeyUUVOZSBOQFLDKP-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.60
Rot. Bonds10

About 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide

1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide (PubChem CID 106053678) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
PubChem CID106053678
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCCn1cc(S(=O)(=O)NC(C)C(C)CC)cn1
InChIInChI=1S/C14H28N4O2S/c1-5-12(3)13(4)17-21(19,20)14-10-16-18(11-14)9-7-8-15-6-2/h10-13,15,17H,5-9H2,1-4H3
InChIKeyUUVOZSBOQFLDKP-UHFFFAOYSA-N
XLogP1.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-[3-(ethylamino)propyl]-N-(4-methylsulfanylbutan-2-yl)pyrazole-4-sulfonamide
CID 106080120
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
1-[3-(ethylamino)propyl]-N-piperidin-1-ylpyrazole-4-sulfonamide
CID 106075195
1-[2-(ethylamino)ethyl]-N-pentylpyrazole-4-sulfonamide
CID 106058154
N-(1-ethylsulfanylpropan-2-yl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106083375
1-[2-(ethylamino)ethyl]-N-(3-methylsulfanylbutyl)pyrazole-4-sulfonamide
CID 106082166
N-(4-methoxybutan-2-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106067461
1-[3-(ethylamino)propyl]-N-(oxolan-3-yl)pyrazole-4-sulfonamide
CID 106072292

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide (CID 106053678) is 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide is CCNCCCn1cc(S(=O)(=O)NC(C)C(C)CC)cn1.
What is the InChIKey of 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is UUVOZSBOQFLDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-5-12(3)13(4)17-21(19,20)14-10-16-18(11-14)9-7-8-15-6-2/h10-13,15,17H,5-9H2,1-4H3.
What are the key properties of 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide?
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106053678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).