N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

C20H19F3N6O2S — CID 170968670

IUPACN-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-3-4-13-5-6-14-10-25-28(2)19(14)18(13)27-32(30,31)16-11-26-29(12-16)15-7-8-24-17(9-15)20(21,22)23/h5-12,27H,3-4H2,1-2H3
InChIKeyFYHNETCFFJXFHL-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.93
Rot. Bonds6

About N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide

N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968670) has the molecular formula C20H19F3N6O2S and a molecular weight of 464.47 g/mol. Its IUPAC name is N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968670
Molecular FormulaC20H19F3N6O2S
Molecular Weight464.47 g/mol
Exact Mass464.12
IUPAC NameN-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N6O2S/c1-3-4-13-5-6-14-10-25-28(2)19(14)18(13)27-32(30,31)16-11-26-29(12-16)15-7-8-24-17(9-15)20(21,22)23/h5-12,27H,3-4H2,1-2H3
InChIKeyFYHNETCFFJXFHL-UHFFFAOYSA-N
XLogP3.93
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170968670) is N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is CCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is FYHNETCFFJXFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2S/c1-3-4-13-5-6-14-10-25-28(2)19(14)18(13)27-32(30,31)16-11-26-29(12-16)15-7-8-24-17(9-15)20(21,22)23/h5-12,27H,3-4H2,1-2H3.
What are the key properties of N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 464.47 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).