N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

C13H12F3N3O2 — CID 32610322

IUPACN-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCn1cc(NC(=O)COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H12F3N3O2/c1-19-7-10(6-17-19)18-12(20)8-21-11-4-2-3-9(5-11)13(14,15)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyQKVCMNIQQNJJIU-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.46
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide

N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 32610322) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID32610322
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCn1cc(NC(=O)COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C13H12F3N3O2/c1-19-7-10(6-17-19)18-12(20)8-21-11-4-2-3-9(5-11)13(14,15)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyQKVCMNIQQNJJIU-UHFFFAOYSA-N
XLogP2.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]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-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
1-(1-methylpyrazol-4-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 47264322
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 16522746
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]acetamide
CID 35364913
N-[4-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 34431383
N-(3-chloro-4-fluorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757682
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4733098
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 32610322) is N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is Cn1cc(NC(=O)COc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is QKVCMNIQQNJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-19-7-10(6-17-19)18-12(20)8-21-11-4-2-3-9(5-11)13(14,15)16/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 299.25 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 32610322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).