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

C14H20N4O2S — CID 60814855

IUPAC3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)c2ccccc2)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-3-9-18-10-13(14(15)16-18)21(19,20)17-11(2)12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3,(H2,15,16)
InChIKeyRPSLDJSXNZCGAR-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.91
Rot. Bonds6

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

3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide (PubChem CID 60814855) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
PubChem CID60814855
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NC(C)c2ccccc2)c(N)n1
InChIInChI=1S/C14H20N4O2S/c1-3-9-18-10-13(14(15)16-18)21(19,20)17-11(2)12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3,(H2,15,16)
InChIKeyRPSLDJSXNZCGAR-UHFFFAOYSA-N
XLogP1.91
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(1-phenylethyl)-1-propylpyrazole-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

3-amino-1-propyl-N-(1-pyridin-2-ylethyl)pyrazole-4-sulfonamide
CID 60808797
3-amino-N-(5-methylhexan-2-yl)-1-propylpyrazole-4-sulfonamide
CID 60808316
3-amino-N-but-3-en-2-yl-1-propylpyrazole-4-sulfonamide
CID 113480784
2-[(3-amino-1-propylpyrazol-4-yl)sulfonylamino]-N-ethylpropanamide
CID 60810102
3-amino-N-(2-methylphenyl)-1-propylpyrazole-4-sulfonamide
CID 60808427
3-amino-N-(2,3-dimethylbutyl)-1-propylpyrazole-4-sulfonamide
CID 64570397
3-amino-N-ethyl-N-phenyl-1-propylpyrazole-4-sulfonamide
CID 60815014
3-amino-N-(4-methylpentyl)-1-propylpyrazole-4-sulfonamide
CID 61125115
3-amino-N-(2-methoxyphenyl)-1-propylpyrazole-4-sulfonamide
CID 60810232
3-amino-1-propyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
CID 60814018
2-amino-N-(1-phenylethyl)benzenesulfonamide
CID 16788499
2-amino-N-[(1S)-1-phenylethyl]pyridine-3-sulfonamide
CID 107864042

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide (CID 60814855) is 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)NC(C)c2ccccc2)c(N)n1.
What is the InChIKey of 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide?
The InChIKey is RPSLDJSXNZCGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-9-18-10-13(14(15)16-18)21(19,20)17-11(2)12-7-5-4-6-8-12/h4-8,10-11,17H,3,9H2,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide?
3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-phenylethyl)-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 60814855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).