2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

C20H19F3N4O2 — CID 24765310

IUPAC2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C20H19F3N4O2/c1-14(18-8-7-17(12-24-18)29-13-20(21,22)23)26-19(28)11-15-3-5-16(6-4-15)27-10-2-9-25-27/h2-10,12,14H,11,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyPFFVXJJYPDWETQ-CQSZACIVSA-N
MW404.39 g/mol
LogP3.63
Rot. Bonds7

About 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide

2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 24765310) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID24765310
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(OCC(F)(F)F)cn1
InChIInChI=1S/C20H19F3N4O2/c1-14(18-8-7-17(12-24-18)29-13-20(21,22)23)26-19(28)11-15-3-5-16(6-4-15)27-10-2-9-25-27/h2-10,12,14H,11,13H2,1H3,(H,26,28)/t14-/m1/s1
InChIKeyPFFVXJJYPDWETQ-CQSZACIVSA-N
XLogP3.63
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide (CID 24765310) is 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is C[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1ccc(OCC(F)(F)F)cn1.
What is the InChIKey of 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is PFFVXJJYPDWETQ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c1-14(18-8-7-17(12-24-18)29-13-20(21,22)23)26-19(28)11-15-3-5-16(6-4-15)27-10-2-9-25-27/h2-10,12,14H,11,13H2,1H3,(H,26,28)/t14-/m1/s1.
What are the key properties of 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide?
2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 24765310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).