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

C15H19N5O2S2 — CID 71808189

IUPAC1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C15H19N5O2S2/c1-11-15(12(2)19(3)17-11)24(21,22)16-7-9-20-8-6-13(18-20)14-5-4-10-23-14/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyDBHPRNGWBWTEHK-UHFFFAOYSA-N
MW365.48 g/mol
LogP1.94
Rot. Bonds6

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

1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 71808189) has the molecular formula C15H19N5O2S2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID71808189
Molecular FormulaC15H19N5O2S2
Molecular Weight365.48 g/mol
Exact Mass365.10
IUPAC Name1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2cccs2)n1
InChIInChI=1S/C15H19N5O2S2/c1-11-15(12(2)19(3)17-11)24(21,22)16-7-9-20-8-6-13(18-20)14-5-4-10-23-14/h4-6,8,10,16H,7,9H2,1-3H3
InChIKeyDBHPRNGWBWTEHK-UHFFFAOYSA-N
XLogP1.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide (CID 71808189) is 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCn1ccc(-c2cccs2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is DBHPRNGWBWTEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S2/c1-11-15(12(2)19(3)17-11)24(21,22)16-7-9-20-8-6-13(18-20)14-5-4-10-23-14/h4-6,8,10,16H,7,9H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 365.48 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71808189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).