N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide

C19H17F3N6O2S — CID 170969017

IUPACN-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O2S/c1-3-12-4-5-13-7-24-27(2)18(13)17(12)26-31(29,30)16-10-25-28(11-16)15-6-14(8-23-9-15)19(20,21)22/h4-11,26H,3H2,1-2H3
InChIKeyNJPMTGZNDUWRNJ-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.54
Rot. Bonds5

About N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide

N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969017) has the molecular formula C19H17F3N6O2S and a molecular weight of 450.45 g/mol. Its IUPAC name is N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969017
Molecular FormulaC19H17F3N6O2S
Molecular Weight450.45 g/mol
Exact Mass450.11
IUPAC NameN-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H17F3N6O2S/c1-3-12-4-5-13-7-24-27(2)18(13)17(12)26-31(29,30)16-10-25-28(11-16)15-6-14(8-23-9-15)19(20,21)22/h4-11,26H,3H2,1-2H3
InChIKeyNJPMTGZNDUWRNJ-UHFFFAOYSA-N
XLogP3.54
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide (CID 170969017) is N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide is CCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is NJPMTGZNDUWRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2S/c1-3-12-4-5-13-7-24-27(2)18(13)17(12)26-31(29,30)16-10-25-28(11-16)15-6-14(8-23-9-15)19(20,21)22/h4-11,26H,3H2,1-2H3.
What are the key properties of N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide?
N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 450.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).