N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide

C16H12F6N4O — CID 146513815

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F6N4O/c1-14(2,26-8-10(7-24-26)15(17,18)19)13(27)25-11-4-3-9(6-23)12(5-11)16(20,21)22/h3-5,7-8H,1-2H3,(H,25,27)
InChIKeyQTUTYRRRYHHOHX-UHFFFAOYSA-N
MW390.29 g/mol
LogP4.17
Rot. Bonds3

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

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 146513815) has the molecular formula C16H12F6N4O and a molecular weight of 390.29 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID146513815
Molecular FormulaC16H12F6N4O
Molecular Weight390.29 g/mol
Exact Mass390.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(C(F)(F)F)cn1
InChIInChI=1S/C16H12F6N4O/c1-14(2,26-8-10(7-24-26)15(17,18)19)13(27)25-11-4-3-9(6-23)12(5-11)16(20,21)22/h3-5,7-8H,1-2H3,(H,25,27)
InChIKeyQTUTYRRRYHHOHX-UHFFFAOYSA-N
XLogP4.17
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide 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-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 146513815) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1cc(C(F)(F)F)cn1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is QTUTYRRRYHHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O/c1-14(2,26-8-10(7-24-26)15(17,18)19)13(27)25-11-4-3-9(6-23)12(5-11)16(20,21)22/h3-5,7-8H,1-2H3,(H,25,27).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 390.29 g/mol, XLogP of 4.17, 3 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-methyl-2-[4-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 146513815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).