1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide

C14H20N4O2S — CID 106036746

IUPAC1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCCN)c1)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-12(13-6-3-2-4-7-13)17-21(19,20)14-10-16-18(11-14)9-5-8-15/h2-4,6-7,10-12,17H,5,8-9,15H2,1H3
InChIKeyLURVQBPYJFYNPG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.27
Rot. Bonds7

About 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 106036746) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
PubChem CID106036746
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cnn(CCCN)c1)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-12(13-6-3-2-4-7-13)17-21(19,20)14-10-16-18(11-14)9-5-8-15/h2-4,6-7,10-12,17H,5,8-9,15H2,1H3
InChIKeyLURVQBPYJFYNPG-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106035429
1-(2-aminoethyl)-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 106021617
1-(3-aminopropyl)-N-(1-thiophen-2-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 106004407
2-[4-(1-pyridin-3-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43523013
N-[(1R)-1-phenylethyl]-1-pyridin-2-ylpyrazole-4-sulfonamide
CID 95738742
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-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
1-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-sulfonamide
CID 95738781
1-(3-aminopropyl)-N-(1-methylpiperidin-4-yl)pyrazole-4-sulfonamide
CID 106025603
1-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pyrazole-4-sulfonamide
CID 55903082

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide (CID 106036746) is 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cnn(CCCN)c1)c1ccccc1.
What is the InChIKey of 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is LURVQBPYJFYNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-12(13-6-3-2-4-7-13)17-21(19,20)14-10-16-18(11-14)9-5-8-15/h2-4,6-7,10-12,17H,5,8-9,15H2,1H3.
What are the key properties of 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106036746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).