2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

C20H16Cl2F3N3O — CID 164615369

IUPAC2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C20H16Cl2F3N3O/c1-12(16-7-2-3-8-17(16)22)19(29)26-11-15-10-18(20(23,24)25)27-28(15)14-6-4-5-13(21)9-14/h2-10,12H,11H2,1H3,(H,26,29)
InChIKeyMXULHOALKZAEPF-UHFFFAOYSA-N
MW442.27 g/mol
LogP5.62
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide

2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (PubChem CID 164615369) has the molecular formula C20H16Cl2F3N3O and a molecular weight of 442.27 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
PubChem CID164615369
Molecular FormulaC20H16Cl2F3N3O
Molecular Weight442.27 g/mol
Exact Mass441.06
IUPAC Name2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide
SMILESCC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C20H16Cl2F3N3O/c1-12(16-7-2-3-8-17(16)22)19(29)26-11-15-10-18(20(23,24)25)27-28(15)14-6-4-5-13(21)9-14/h2-10,12H,11H2,1H3,(H,26,29)
InChIKeyMXULHOALKZAEPF-UHFFFAOYSA-N
XLogP5.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.27
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide (CID 164615369) is 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is CC(C(=O)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
The InChIKey is MXULHOALKZAEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2F3N3O/c1-12(16-7-2-3-8-17(16)22)19(29)26-11-15-10-18(20(23,24)25)27-28(15)14-6-4-5-13(21)9-14/h2-10,12H,11H2,1H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide?
2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide has a molecular weight of 442.27 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]propanamide is sourced from PubChem (CID 164615369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).