3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C8H12N6O3S — CID 106410953

IUPAC3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C8H12N6O3S/c1-5-8(6(2-9)13-12-5)18(15,16)11-3-7-10-4-17-14-7/h4,11H,2-3,9H2,1H3,(H,12,13)
InChIKeyFJVJTNWNGUQDRF-UHFFFAOYSA-N
MW272.29 g/mol
LogP-0.96
Rot. Bonds5

About 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106410953) has the molecular formula C8H12N6O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID106410953
Molecular FormulaC8H12N6O3S
Molecular Weight272.29 g/mol
Exact Mass272.07
IUPAC Name3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CN)c1S(=O)(=O)NCc1ncon1
InChIInChI=1S/C8H12N6O3S/c1-5-8(6(2-9)13-12-5)18(15,16)11-3-7-10-4-17-14-7/h4,11H,2-3,9H2,1H3,(H,12,13)
InChIKeyFJVJTNWNGUQDRF-UHFFFAOYSA-N
XLogP-0.96
TPSA139.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-3-(methylaminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106411035
3-[(cyclopropylamino)methyl]-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106410874
3-(aminomethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79238081
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214
3-(aminomethyl)-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 106018303
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
3-(aminomethyl)-N-[2-(diethylamino)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106035205
3-(aminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055948
3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
3-(aminomethyl)-5-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-4-sulfonamide
CID 106095133
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 106410953) is 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CN)c1S(=O)(=O)NCc1ncon1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is FJVJTNWNGUQDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O3S/c1-5-8(6(2-9)13-12-5)18(15,16)11-3-7-10-4-17-14-7/h4,11H,2-3,9H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.29 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106410953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).