1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide

C13H18N4O2S — CID 106035429

IUPAC1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-11(12-5-3-2-4-6-12)16-20(18,19)13-9-15-17(10-13)8-7-14/h2-6,9-11,16H,7-8,14H2,1H3
InChIKeyPNYKTMWYKRNFNW-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.88
Rot. Bonds6

About 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 106035429) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
PubChem CID106035429
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCN)c1)c1ccccc1
InChIInChI=1S/C13H18N4O2S/c1-11(12-5-3-2-4-6-12)16-20(18,19)13-9-15-17(10-13)8-7-14/h2-6,9-11,16H,7-8,14H2,1H3
InChIKeyPNYKTMWYKRNFNW-UHFFFAOYSA-N
XLogP0.88
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 106021617
1-(2-aminoethyl)-N-[1-(1H-imidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106084971
1-(2-aminoethyl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyrazole-4-sulfonamide
CID 79232497
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106067822
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
1-(2-aminoethyl)-N-[2-(dimethylamino)propyl]pyrazole-4-sulfonamide
CID 106017137
1-(2-aminoethyl)-N-(2-chlorophenyl)pyrazole-4-sulfonamide
CID 106061816
4-(2-aminopyrimidin-5-yl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 171387685

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide (CID 106035429) is 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(CCN)c1)c1ccccc1.
What is the InChIKey of 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is PNYKTMWYKRNFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-11(12-5-3-2-4-6-12)16-20(18,19)13-9-15-17(10-13)8-7-14/h2-6,9-11,16H,7-8,14H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106035429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).