N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H20F3N3O2 — CID 47073756

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H20F3N3O2/c1-5-25-15-7-6-12(17(18,19)20)8-14(15)21-16(24)9-13-10(2)22-23(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,21,24)
InChIKeyIXUUTXPFVWWTOP-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.64
Rot. Bonds5

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 47073756) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID47073756
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C17H20F3N3O2/c1-5-25-15-7-6-12(17(18,19)20)8-14(15)21-16(24)9-13-10(2)22-23(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,21,24)
InChIKeyIXUUTXPFVWWTOP-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
2-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 56531981
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 86843694
N-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 99829147
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 9116070
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 112765166
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-(4-bromo-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24665858
2-[3-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenoxy]acetic acid
CID 119231451
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 47073756) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is IXUUTXPFVWWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-5-25-15-7-6-12(17(18,19)20)8-14(15)21-16(24)9-13-10(2)22-23(4)11(13)3/h6-8H,5,9H2,1-4H3,(H,21,24).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 355.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 47073756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).