1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

C14H28N4O2S — CID 106030085

IUPAC1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1nc(C)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H28N4O2S/c1-7-15-8-9-18-13(6)14(12(5)16-18)21(19,20)17-11(4)10(2)3/h10-11,15,17H,7-9H2,1-6H3
InChIKeyHAHQQBSSYCKDSV-UHFFFAOYSA-N
MW316.47 g/mol
LogP1.43
Rot. Bonds8

About 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide

1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (PubChem CID 106030085) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
PubChem CID106030085
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
SMILESCCNCCn1nc(C)c(S(=O)(=O)NC(C)C(C)C)c1C
InChIInChI=1S/C14H28N4O2S/c1-7-15-8-9-18-13(6)14(12(5)16-18)21(19,20)17-11(4)10(2)3/h10-11,15,17H,7-9H2,1-6H3
InChIKeyHAHQQBSSYCKDSV-UHFFFAOYSA-N
XLogP1.43
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-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

2-[4-(tert-butylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-cyclopropylacetamide
CID 8901194
N-cyclopropyl-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 8167944
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
N-cyclopentyl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3235601
trimethyl-1H-pyrazole-4-sulfonamide
CID 16228087
2-[2-Methylpropyl-(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]acetamide
CID 47185639
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
3,5-dimethyl-1-(2-methylpropyl)-1H-pyrazole-4-sulfonyl chloride
CID 43531726
3,5-dimethyl-1-(propan-2-yl)-1H-pyrazole-4-sulfonyl chloride
CID 54593633
1-(2-(dimethylamino)ethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonyl chloride hydrochloride
CID 75480881
5-(aminomethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide hydrochloride
CID 145905149
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-methylacetamide
CID 8898142

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide (CID 106030085) is 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is CCNCCn1nc(C)c(S(=O)(=O)NC(C)C(C)C)c1C.
What is the InChIKey of 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
The InChIKey is HAHQQBSSYCKDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c1-7-15-8-9-18-13(6)14(12(5)16-18)21(19,20)17-11(4)10(2)3/h10-11,15,17H,7-9H2,1-6H3.
What are the key properties of 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide?
1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide has a molecular weight of 316.47 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)ethyl]-3,5-dimethyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106030085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).