N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide

C17H20F3N3O2 — CID 91770290

IUPACN-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
SMILESCC(C)n1cc(CNC(=O)COC(c2ccccc2)C(F)(F)F)cn1
InChIInChI=1S/C17H20F3N3O2/c1-12(2)23-10-13(9-22-23)8-21-15(24)11-25-16(17(18,19)20)14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H,21,24)
InChIKeyYUAXRSHRPWXJMX-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.40
Rot. Bonds7

About N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide

N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide (PubChem CID 91770290) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
PubChem CID91770290
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide
SMILESCC(C)n1cc(CNC(=O)COC(c2ccccc2)C(F)(F)F)cn1
InChIInChI=1S/C17H20F3N3O2/c1-12(2)23-10-13(9-22-23)8-21-15(24)11-25-16(17(18,19)20)14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H,21,24)
InChIKeyYUAXRSHRPWXJMX-UHFFFAOYSA-N
XLogP3.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide?
The IUPAC name of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide (CID 91770290) is N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide is CC(C)n1cc(CNC(=O)COC(c2ccccc2)C(F)(F)F)cn1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide?
The InChIKey is YUAXRSHRPWXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-12(2)23-10-13(9-22-23)8-21-15(24)11-25-16(17(18,19)20)14-6-4-3-5-7-14/h3-7,9-10,12,16H,8,11H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide?
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide has a molecular weight of 355.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoro-1-phenylethoxy)acetamide is sourced from PubChem (CID 91770290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).