2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide

C22H20Cl2F3N3O — CID 10928795

IUPAC2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2F3N3O/c1-3-29(4-2)20(31)11-15-13-30(17-7-5-6-16(12-17)22(25,26)27)28-21(15)14-8-9-18(23)19(24)10-14/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyURRNKDMELHWRBH-UHFFFAOYSA-N
MW470.32 g/mol
LogP6.28
Rot. Bonds6

About 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide

2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide (PubChem CID 10928795) has the molecular formula C22H20Cl2F3N3O and a molecular weight of 470.32 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide
PubChem CID10928795
Molecular FormulaC22H20Cl2F3N3O
Molecular Weight470.32 g/mol
Exact Mass469.09
IUPAC Name2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H20Cl2F3N3O/c1-3-29(4-2)20(31)11-15-13-30(17-7-5-6-16(12-17)22(25,26)27)28-21(15)14-8-9-18(23)19(24)10-14/h5-10,12-13H,3-4,11H2,1-2H3
InChIKeyURRNKDMELHWRBH-UHFFFAOYSA-N
XLogP6.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.32
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide 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 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide (CID 10928795) is 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cc1cn(-c2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide?
The InChIKey is URRNKDMELHWRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2F3N3O/c1-3-29(4-2)20(31)11-15-13-30(17-7-5-6-16(12-17)22(25,26)27)28-21(15)14-8-9-18(23)19(24)10-14/h5-10,12-13H,3-4,11H2,1-2H3.
What are the key properties of 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide?
2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide has a molecular weight of 470.32 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 10928795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).