N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide

C13H10Cl2F3N3O2 — CID 2801296

IUPACN-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
SMILESCn1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-10(13(16,17)18)5-12(20-21)23-6-11(22)19-9-3-2-7(14)4-8(9)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyMCUZVINKGRMZRR-UHFFFAOYSA-N
MW368.14 g/mol
LogP3.76
Rot. Bonds4

About N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide

N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide (PubChem CID 2801296) has the molecular formula C13H10Cl2F3N3O2 and a molecular weight of 368.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
PubChem CID2801296
Molecular FormulaC13H10Cl2F3N3O2
Molecular Weight368.14 g/mol
Exact Mass367.01
IUPAC NameN-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide
SMILESCn1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F
InChIInChI=1S/C13H10Cl2F3N3O2/c1-21-10(13(16,17)18)5-12(20-21)23-6-11(22)19-9-3-2-7(14)4-8(9)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyMCUZVINKGRMZRR-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide (CID 2801296) is N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide is Cn1nc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
The InChIKey is MCUZVINKGRMZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O2/c1-21-10(13(16,17)18)5-12(20-21)23-6-11(22)19-9-3-2-7(14)4-8(9)15/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide?
N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide has a molecular weight of 368.14 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyacetamide is sourced from PubChem (CID 2801296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).