N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

C15H21N3O2S2 — CID 71806207

IUPACN-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18(13-6-7-13)9-8-14-5-4-10-21-14/h4-5,10,13H,6-9H2,1-3H3
InChIKeyCWLZOBNBIOQZMK-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.49
Rot. Bonds6

About N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide

N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (PubChem CID 71806207) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
PubChem CID71806207
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)C1CC1
InChIInChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18(13-6-7-13)9-8-14-5-4-10-21-14/h4-5,10,13H,6-9H2,1-3H3
InChIKeyCWLZOBNBIOQZMK-UHFFFAOYSA-N
XLogP2.49
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide (CID 71806207) is N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CCc1cccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
The InChIKey is CWLZOBNBIOQZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11-15(12(2)17(3)16-11)22(19,20)18(13-6-7-13)9-8-14-5-4-10-21-14/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide?
N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,3,5-trimethyl-N-(2-thiophen-2-ylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71806207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).