1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide

C11H16N6O3S — CID 106411075

IUPAC1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C11H16N6O3S/c18-21(19,15-6-11-13-8-20-16-11)10-5-14-17(7-10)4-3-12-9-1-2-9/h5,7-9,12,15H,1-4,6H2
InChIKeyCULZZBOFLPVHCG-UHFFFAOYSA-N
MW312.36 g/mol
LogP-0.50
Rot. Bonds8

About 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide

1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 106411075) has the molecular formula C11H16N6O3S and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
PubChem CID106411075
Molecular FormulaC11H16N6O3S
Molecular Weight312.36 g/mol
Exact Mass312.10
IUPAC Name1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ncon1)c1cnn(CCNC2CC2)c1
InChIInChI=1S/C11H16N6O3S/c18-21(19,15-6-11-13-8-20-16-11)10-5-14-17(7-10)4-3-12-9-1-2-9/h5,7-9,12,15H,1-4,6H2
InChIKeyCULZZBOFLPVHCG-UHFFFAOYSA-N
XLogP-0.50
TPSA114.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-hydroxyethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 114185407
N-(cyclopentylmethyl)-1-[2-(cyclopropylamino)ethyl]pyrazole-4-sulfonamide
CID 106026808
2-(cyclopropylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanesulfonamide
CID 106410989
5-[(cyclopropylamino)methyl]-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410840
1-[2-(cyclopropylamino)ethyl]-N-(thian-4-yl)pyrazole-4-sulfonamide
CID 106084404
1-[2-(cyclopropylamino)ethyl]-N-(1-methoxypropan-2-yl)pyrazole-4-sulfonamide
CID 106057062
5-[(cyclopropylamino)methyl]-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thiophene-3-sulfonamide
CID 106411257
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410874
1-[3-(cyclopropylamino)propyl]-N-pentan-2-ylpyrazole-4-sulfonamide
CID 106046344
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
1-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-amine
CID 103649301
1-[2-(ethylamino)ethyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrazole-4-sulfonamide
CID 106378170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide (CID 106411075) is 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is O=S(=O)(NCc1ncon1)c1cnn(CCNC2CC2)c1.
What is the InChIKey of 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is CULZZBOFLPVHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3S/c18-21(19,15-6-11-13-8-20-16-11)10-5-14-17(7-10)4-3-12-9-1-2-9/h5,7-9,12,15H,1-4,6H2.
What are the key properties of 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide?
1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 312.36 g/mol, XLogP of -0.50, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106411075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).