1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide

C12H21N3O3S — CID 22201375

IUPAC1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H21N3O3S/c1-8(11-6-5-7-18-11)14-19(16,17)12-9(2)13-15(4)10(12)3/h8,11,14H,5-7H2,1-4H3
InChIKeyFVQXGRCWTJJCEX-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.88
Rot. Bonds4

About 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 22201375) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID22201375
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NC(C)C1CCCO1
InChIInChI=1S/C12H21N3O3S/c1-8(11-6-5-7-18-11)14-19(16,17)12-9(2)13-15(4)10(12)3/h8,11,14H,5-7H2,1-4H3
InChIKeyFVQXGRCWTJJCEX-UHFFFAOYSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-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 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide (CID 22201375) is 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NC(C)C1CCCO1.
What is the InChIKey of 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is FVQXGRCWTJJCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-8(11-6-5-7-18-11)14-19(16,17)12-9(2)13-15(4)10(12)3/h8,11,14H,5-7H2,1-4H3.
What are the key properties of 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 22201375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).