N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C20H24F3N3O3S — CID 71807772

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-13(2)30(28,29)16-7-3-14(4-8-16)11-19(27)24-9-10-26-17(15-5-6-15)12-18(25-26)20(21,22)23/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,24,27)
InChIKeyMWESPKRNJDSFGS-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.32
Rot. Bonds8

About N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 71807772) has the molecular formula C20H24F3N3O3S and a molecular weight of 443.49 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID71807772
Molecular FormulaC20H24F3N3O3S
Molecular Weight443.49 g/mol
Exact Mass443.15
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C20H24F3N3O3S/c1-13(2)30(28,29)16-7-3-14(4-8-16)11-19(27)24-9-10-26-17(15-5-6-15)12-18(25-26)20(21,22)23/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,24,27)
InChIKeyMWESPKRNJDSFGS-UHFFFAOYSA-N
XLogP3.32
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 71807772) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1.
What is the InChIKey of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is MWESPKRNJDSFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3S/c1-13(2)30(28,29)16-7-3-14(4-8-16)11-19(27)24-9-10-26-17(15-5-6-15)12-18(25-26)20(21,22)23/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 443.49 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 71807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).