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

C19H14ClF4N3O — CID 46946660

IUPACN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF4N3O/c20-13-4-2-6-15(9-13)27-16(10-17(26-27)19(22,23)24)11-25-18(28)8-12-3-1-5-14(21)7-12/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyFHOABVDHYAEXMO-UHFFFAOYSA-N
MW411.79 g/mol
LogP4.54
Rot. Bonds5

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

N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide (PubChem CID 46946660) has the molecular formula C19H14ClF4N3O and a molecular weight of 411.79 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide
PubChem CID46946660
Molecular FormulaC19H14ClF4N3O
Molecular Weight411.79 g/mol
Exact Mass411.08
IUPAC NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H14ClF4N3O/c20-13-4-2-6-15(9-13)27-16(10-17(26-27)19(22,23)24)11-25-18(28)8-12-3-1-5-14(21)7-12/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyFHOABVDHYAEXMO-UHFFFAOYSA-N
XLogP4.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.79
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide 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-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide (CID 46946660) is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is FHOABVDHYAEXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O/c20-13-4-2-6-15(9-13)27-16(10-17(26-27)19(22,23)24)11-25-18(28)8-12-3-1-5-14(21)7-12/h1-7,9-10H,8,11H2,(H,25,28).
What are the key properties of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide?
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 411.79 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 46946660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).