3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide

C11H21N3O3S — CID 112592695

IUPAC3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(CCOC(C)(C)C)c(C)c1S(N)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-8-10(18(12,15)16)9(2)14(13-8)6-7-17-11(3,4)5/h6-7H2,1-5H3,(H2,12,15,16)
InChIKeyPJMXECKRYDXPIH-UHFFFAOYSA-N
MW275.37 g/mol
LogP0.96
Rot. Bonds4

About 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide

3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide (PubChem CID 112592695) has the molecular formula C11H21N3O3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
PubChem CID112592695
Molecular FormulaC11H21N3O3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(CCOC(C)(C)C)c(C)c1S(N)(=O)=O
InChIInChI=1S/C11H21N3O3S/c1-8-10(18(12,15)16)9(2)14(13-8)6-7-17-11(3,4)5/h6-7H2,1-5H3,(H2,12,15,16)
InChIKeyPJMXECKRYDXPIH-UHFFFAOYSA-N
XLogP0.96
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide (CID 112592695) is 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide is Cc1nn(CCOC(C)(C)C)c(C)c1S(N)(=O)=O.
What is the InChIKey of 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
The InChIKey is PJMXECKRYDXPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3S/c1-8-10(18(12,15)16)9(2)14(13-8)6-7-17-11(3,4)5/h6-7H2,1-5H3,(H2,12,15,16).
What are the key properties of 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide?
3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide has a molecular weight of 275.37 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 112592695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).