2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C15H16F3N3O2 — CID 90588586

IUPAC2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-11-4-2-3-5-12(11)23-10-14(22)19-7-9-21-8-6-13(20-21)15(16,17)18/h2-6,8H,7,9-10H2,1H3,(H,19,22)
InChIKeyPXTHNPKKLPDWGL-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.41
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 90588586) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID90588586
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1ccccc1OCC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H16F3N3O2/c1-11-4-2-3-5-12(11)23-10-14(22)19-7-9-21-8-6-13(20-21)15(16,17)18/h2-6,8H,7,9-10H2,1H3,(H,19,22)
InChIKeyPXTHNPKKLPDWGL-UHFFFAOYSA-N
XLogP2.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588583
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetohydrazide
CID 35804088
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
2,2-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 90588530
3,4-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588560
2-(2-methylphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26732852
N-[2-(1-methylimidazol-2-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 51102465
2-(2-methoxyphenoxy)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
CID 71807840
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzamide
CID 90588569
1-(3,4-dimethylphenyl)-3-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]urea
CID 71808079
2-ethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]butanamide
CID 90588535

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 90588586) is 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is Cc1ccccc1OCC(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is PXTHNPKKLPDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-11-4-2-3-5-12(11)23-10-14(22)19-7-9-21-8-6-13(20-21)15(16,17)18/h2-6,8H,7,9-10H2,1H3,(H,19,22).
What are the key properties of 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 90588586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).