1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide

C10H16N6O3S — CID 106411125

IUPAC1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)NCCc2ncno2)cn1
InChIInChI=1S/C10H16N6O3S/c11-3-1-5-16-7-9(6-13-16)20(17,18)15-4-2-10-12-8-14-19-10/h6-8,15H,1-5,11H2
InChIKeyUQGJXFMZPGNVSK-UHFFFAOYSA-N
MW300.34 g/mol
LogP-0.86
Rot. Bonds8

About 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide

1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 106411125) has the molecular formula C10H16N6O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID106411125
Molecular FormulaC10H16N6O3S
Molecular Weight300.34 g/mol
Exact Mass300.10
IUPAC Name1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESNCCCn1cc(S(=O)(=O)NCCc2ncno2)cn1
InChIInChI=1S/C10H16N6O3S/c11-3-1-5-16-7-9(6-13-16)20(17,18)15-4-2-10-12-8-14-19-10/h6-8,15H,1-5,11H2
InChIKeyUQGJXFMZPGNVSK-UHFFFAOYSA-N
XLogP-0.86
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-aminopropyl)-N-(3-propoxypropyl)pyrazole-4-sulfonamide
CID 106074259
1-(3-aminopropyl)-N-[3-(2-methoxyethoxy)propyl]pyrazole-4-sulfonamide
CID 106001877
1-(3-aminopropyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106093615
1-(2-aminoethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 106068103
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106395892
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-(3-aminopropyl)-N-(1,4-dithian-2-ylmethyl)pyrazole-4-sulfonamide
CID 106078488
3-(aminomethyl)-4-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzenesulfonamide
CID 106411175
1-(3-aminopropyl)-N-(1-phenylethyl)pyrazole-4-sulfonamide
CID 106036746
1-(2-aminoethyl)-N-(3-methylbutyl)pyrazole-4-sulfonamide
CID 106059006
1-(2-aminoethyl)-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
CID 115522912
2-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 106401561

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide (CID 106411125) is 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide is NCCCn1cc(S(=O)(=O)NCCc2ncno2)cn1.
What is the InChIKey of 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is UQGJXFMZPGNVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3S/c11-3-1-5-16-7-9(6-13-16)20(17,18)15-4-2-10-12-8-14-19-10/h6-8,15H,1-5,11H2.
What are the key properties of 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide?
1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of -0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106411125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).