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

C17H20F3N3O2 — CID 139003029

IUPACN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C17H20F3N3O2/c1-11-4-5-14(25-3)13(8-11)6-7-21-16(24)10-23-12(2)9-15(22-23)17(18,19)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24)
InChIKeyFVJCCCFOXNPASH-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.89
Rot. Bonds6

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

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 139003029) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID139003029
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1ccc(C)cc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C17H20F3N3O2/c1-11-4-5-14(25-3)13(8-11)6-7-21-16(24)10-23-12(2)9-15(22-23)17(18,19)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24)
InChIKeyFVJCCCFOXNPASH-UHFFFAOYSA-N
XLogP2.89
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 3662930
2-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94684158
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9049975
N-hexyl-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519068
N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 146132786
2-(2,4-dimethylphenoxy)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 26457209
2-cyano-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 94685624
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778874
N-[2-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26954022

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 139003029) is N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1ccc(C)cc1CCNC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FVJCCCFOXNPASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-11-4-5-14(25-3)13(8-11)6-7-21-16(24)10-23-12(2)9-15(22-23)17(18,19)20/h4-5,8-9H,6-7,10H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 355.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 139003029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).