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

C13H10Cl2F3N3O — CID 1100792

IUPACN-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F3N3O/c1-7-4-11(13(16,17)18)20-21(7)6-12(22)19-10-3-2-8(14)5-9(10)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyAYDNPPZEYLLVRD-UHFFFAOYSA-N
MW352.14 g/mol
LogP4.16
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 1100792) has the molecular formula C13H10Cl2F3N3O and a molecular weight of 352.14 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID1100792
Molecular FormulaC13H10Cl2F3N3O
Molecular Weight352.14 g/mol
Exact Mass351.02
IUPAC NameN-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10Cl2F3N3O/c1-7-4-11(13(16,17)18)20-21(7)6-12(22)19-10-3-2-8(14)5-9(10)15/h2-5H,6H2,1H3,(H,19,22)
InChIKeyAYDNPPZEYLLVRD-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 1100792) is N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AYDNPPZEYLLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3N3O/c1-7-4-11(13(16,17)18)20-21(7)6-12(22)19-10-3-2-8(14)5-9(10)15/h2-5H,6H2,1H3,(H,19,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 352.14 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 1100792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).