N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

C20H19F3N6O2S — CID 170969322

IUPACN-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2c(c(C)nn2C)c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-4-13-5-6-16-18(12(2)26-28(16)3)19(13)27-32(30,31)15-10-25-29(11-15)14-7-8-24-17(9-14)20(21,22)23/h5-11,27H,4H2,1-3H3
InChIKeyZVFHCTXHBPLBFZ-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.84
Rot. Bonds5

About N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969322) has the molecular formula C20H19F3N6O2S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969322
Molecular FormulaC20H19F3N6O2S
Molecular Weight464.47 g/mol
Exact Mass464.12
IUPAC NameN-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2c(c(C)nn2C)c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-4-13-5-6-16-18(12(2)26-28(16)3)19(13)27-32(30,31)15-10-25-29(11-15)14-7-8-24-17(9-14)20(21,22)23/h5-11,27H,4H2,1-3H3
InChIKeyZVFHCTXHBPLBFZ-UHFFFAOYSA-N
XLogP3.84
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]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 N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170969322) is N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is CCc1ccc2c(c(C)nn2C)c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is ZVFHCTXHBPLBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2S/c1-4-13-5-6-16-18(12(2)26-28(16)3)19(13)27-32(30,31)15-10-25-29(11-15)14-7-8-24-17(9-14)20(21,22)23/h5-11,27H,4H2,1-3H3.
What are the key properties of N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 464.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3-dimethylindazol-4-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).