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

C9H14N6O3S — CID 106410680

IUPAC4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCc1noc(C)n1
InChIInChI=1S/C9H14N6O3S/c1-6-13-8(15-18-6)5-12-19(16,17)9-7(3-10-2)4-11-14-9/h4,10,12H,3,5H2,1-2H3,(H,11,14)
InChIKeyMQUJXVSUTWGDHI-UHFFFAOYSA-N
MW286.32 g/mol
LogP-0.70
Rot. Bonds6

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

4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106410680) has the molecular formula C9H14N6O3S and a molecular weight of 286.32 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106410680
Molecular FormulaC9H14N6O3S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC Name4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NCc1noc(C)n1
InChIInChI=1S/C9H14N6O3S/c1-6-13-8(15-18-6)5-12-19(16,17)9-7(3-10-2)4-11-14-9/h4,10,12H,3,5H2,1-2H3,(H,11,14)
InChIKeyMQUJXVSUTWGDHI-UHFFFAOYSA-N
XLogP-0.70
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide (CID 106410680) is 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NCc1noc(C)n1.
What is the InChIKey of 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is MQUJXVSUTWGDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O3S/c1-6-13-8(15-18-6)5-12-19(16,17)9-7(3-10-2)4-11-14-9/h4,10,12H,3,5H2,1-2H3,(H,11,14).
What are the key properties of 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 286.32 g/mol, XLogP of -0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106410680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).