1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

C12H17N3O2S2 — CID 71688192

IUPAC1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h5-7,13H,4,8H2,1-3H3
InChIKeyCTDFIYNNPMGVKB-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.06
Rot. Bonds5

About 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide

1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 71688192) has the molecular formula C12H17N3O2S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID71688192
Molecular FormulaC12H17N3O2S2
Molecular Weight299.42 g/mol
Exact Mass299.08
IUPAC Name1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCCn1nc(C)c(S(=O)(=O)NCc2cccs2)c1C
InChIInChI=1S/C12H17N3O2S2/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h5-7,13H,4,8H2,1-3H3
InChIKeyCTDFIYNNPMGVKB-UHFFFAOYSA-N
XLogP2.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide (CID 71688192) is 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is CCn1nc(C)c(S(=O)(=O)NCc2cccs2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is CTDFIYNNPMGVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S2/c1-4-15-10(3)12(9(2)14-15)19(16,17)13-8-11-6-5-7-18-11/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide?
1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 299.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71688192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).