N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H19F3N4O2S — CID 86266238

IUPACN-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2ccncc2)nn1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2S/c1-14-12-18(16-6-8-23-9-7-16)25-26(14)11-10-24-29(27,28)13-15-2-4-17(5-3-15)19(20,21)22/h2-9,12,24H,10-11,13H2,1H3
InChIKeyZXQZEERLQJQXRZ-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.39
Rot. Bonds7

About N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 86266238) has the molecular formula C19H19F3N4O2S and a molecular weight of 424.45 g/mol. Its IUPAC name is N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID86266238
Molecular FormulaC19H19F3N4O2S
Molecular Weight424.45 g/mol
Exact Mass424.12
IUPAC NameN-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCc1cc(-c2ccncc2)nn1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N4O2S/c1-14-12-18(16-6-8-23-9-7-16)25-26(14)11-10-24-29(27,28)13-15-2-4-17(5-3-15)19(20,21)22/h2-9,12,24H,10-11,13H2,1H3
InChIKeyZXQZEERLQJQXRZ-UHFFFAOYSA-N
XLogP3.39
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 86266238) is N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is Cc1cc(-c2ccncc2)nn1CCNS(=O)(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is ZXQZEERLQJQXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S/c1-14-12-18(16-6-8-23-9-7-16)25-26(14)11-10-24-29(27,28)13-15-2-4-17(5-3-15)19(20,21)22/h2-9,12,24H,10-11,13H2,1H3.
What are the key properties of N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 86266238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).