N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide

C21H16F4N4O — CID 146513850

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H16F4N4O/c1-20(2,29-12-15(11-27-29)13-3-6-16(22)7-4-13)19(30)28-17-8-5-14(10-26)18(9-17)21(23,24)25/h3-9,11-12H,1-2H3,(H,28,30)
InChIKeyXVXSUFWMAWOWDE-UHFFFAOYSA-N
MW416.38 g/mol
LogP4.95
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 146513850) has the molecular formula C21H16F4N4O and a molecular weight of 416.38 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID146513850
Molecular FormulaC21H16F4N4O
Molecular Weight416.38 g/mol
Exact Mass416.13
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(-c2ccc(F)cc2)cn1
InChIInChI=1S/C21H16F4N4O/c1-20(2,29-12-15(11-27-29)13-3-6-16(22)7-4-13)19(30)28-17-8-5-14(10-26)18(9-17)21(23,24)25/h3-9,11-12H,1-2H3,(H,28,30)
InChIKeyXVXSUFWMAWOWDE-UHFFFAOYSA-N
XLogP4.95
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.38
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide 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-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide (CID 146513850) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(-c2ccc(F)cc2)cn1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is XVXSUFWMAWOWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N4O/c1-20(2,29-12-15(11-27-29)13-3-6-16(22)7-4-13)19(30)28-17-8-5-14(10-26)18(9-17)21(23,24)25/h3-9,11-12H,1-2H3,(H,28,30).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 416.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 146513850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).