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

C11H18N6O3S — CID 106411271

IUPAC4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCCc2ncon2)n[nH]c1C
InChIInChI=1S/C11H18N6O3S/c1-3-12-6-9-8(2)15-16-11(9)21(18,19)14-5-4-10-13-7-20-17-10/h7,12,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyZVPHZWLHKJNVBL-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.27
Rot. Bonds8

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

4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide (PubChem CID 106411271) has the molecular formula C11H18N6O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
PubChem CID106411271
Molecular FormulaC11H18N6O3S
Molecular Weight314.37 g/mol
Exact Mass314.12
IUPAC Name4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NCCc2ncon2)n[nH]c1C
InChIInChI=1S/C11H18N6O3S/c1-3-12-6-9-8(2)15-16-11(9)21(18,19)14-5-4-10-13-7-20-17-10/h7,12,14H,3-6H2,1-2H3,(H,15,16)
InChIKeyZVPHZWLHKJNVBL-UHFFFAOYSA-N
XLogP-0.27
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
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2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanesulfonamide
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4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
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3,5-dimethyl-4-[2-(1,2,4-oxadiazol-3-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
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4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
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5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
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4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
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2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106408027
4-(ethylaminomethyl)-5-methyl-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106073747
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide (CID 106411271) is 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)NCCc2ncon2)n[nH]c1C.
What is the InChIKey of 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide?
The InChIKey is ZVPHZWLHKJNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O3S/c1-3-12-6-9-8(2)15-16-11(9)21(18,19)14-5-4-10-13-7-20-17-10/h7,12,14H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide?
4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of -0.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106411271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).