N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C17H20F3N3O2 — CID 155960523

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N3O2/c1-10-5-6-14(25-4)13(9-10)11(2)21-16(24)12(3)23-8-7-15(22-23)17(18,19)20/h5-9,11-12H,1-4H3,(H,21,24)/t11-,12?/m1/s1
InChIKeyLEGXCGSZXXWVGZ-JHJMLUEUSA-N
MW355.36 g/mol
LogP3.66
Rot. Bonds5

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155960523) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155960523
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)C(C)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N3O2/c1-10-5-6-14(25-4)13(9-10)11(2)21-16(24)12(3)23-8-7-15(22-23)17(18,19)20/h5-9,11-12H,1-4H3,(H,21,24)/t11-,12?/m1/s1
InChIKeyLEGXCGSZXXWVGZ-JHJMLUEUSA-N
XLogP3.66
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155960523) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is COc1ccc(C)cc1[C@@H](C)NC(=O)C(C)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is LEGXCGSZXXWVGZ-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10-5-6-14(25-4)13(9-10)11(2)21-16(24)12(3)23-8-7-15(22-23)17(18,19)20/h5-9,11-12H,1-4H3,(H,21,24)/t11-,12?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 355.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155960523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).