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

C20H24F3N3O2 — CID 121139606

IUPACN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)14-5-7-16(8-6-14)28-12-19(27)24-9-10-26-17(15-3-4-15)11-18(25-26)20(21,22)23/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H,24,27)
InChIKeyLASGUPFZTPDYSJ-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.10
Rot. Bonds8

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

N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 121139606) has the molecular formula C20H24F3N3O2 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID121139606
Molecular FormulaC20H24F3N3O2
Molecular Weight395.43 g/mol
Exact Mass395.18
IUPAC NameN-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)NCCn2nc(C(F)(F)F)cc2C2CC2)cc1
InChIInChI=1S/C20H24F3N3O2/c1-13(2)14-5-7-16(8-6-14)28-12-19(27)24-9-10-26-17(15-3-4-15)11-18(25-26)20(21,22)23/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H,24,27)
InChIKeyLASGUPFZTPDYSJ-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 121139594
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(4-ethoxyphenyl)urea
CID 121139775
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(3-methoxyphenyl)acetamide
CID 121139555
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-(2-methoxyethyl)urea
CID 71807788
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2,6-difluorobenzamide
CID 121139543
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclobutanecarboxamide
CID 71807723
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 122277201
1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 71807793
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283142
2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 121139606) is N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=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-ylphenoxy)acetamide?
The InChIKey is LASGUPFZTPDYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2/c1-13(2)14-5-7-16(8-6-14)28-12-19(27)24-9-10-26-17(15-3-4-15)11-18(25-26)20(21,22)23/h5-8,11,13,15H,3-4,9-10,12H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide?
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 395.43 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-ylphenoxy)acetamide is sourced from PubChem (CID 121139606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).