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

C11H16N4O3S — CID 110660694

IUPAC3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C11H16N4O3S/c1-7-6-12-10(18-7)4-5-13-19(16,17)11-8(2)14-15-9(11)3/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyGLVHYIHLXNRAQK-UHFFFAOYSA-N
MW284.34 g/mol
LogP0.84
Rot. Bonds5

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

3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 110660694) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID110660694
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCc1cnc(CCNS(=O)(=O)c2c(C)n[nH]c2C)o1
InChIInChI=1S/C11H16N4O3S/c1-7-6-12-10(18-7)4-5-13-19(16,17)11-8(2)14-15-9(11)3/h6,13H,4-5H2,1-3H3,(H,14,15)
InChIKeyGLVHYIHLXNRAQK-UHFFFAOYSA-N
XLogP0.84
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 110660694) is 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is Cc1cnc(CCNS(=O)(=O)c2c(C)n[nH]c2C)o1.
What is the InChIKey of 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is GLVHYIHLXNRAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-7-6-12-10(18-7)4-5-13-19(16,17)11-8(2)14-15-9(11)3/h6,13H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110660694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).