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

C15H12F4N4O — CID 146513803

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1ccc(F)n1
InChIInChI=1S/C15H12F4N4O/c1-14(2,23-6-5-12(16)22-23)13(24)21-10-4-3-9(8-20)11(7-10)15(17,18)19/h3-7H,1-2H3,(H,21,24)
InChIKeyJFXDIBNEXMBLTA-UHFFFAOYSA-N
MW340.28 g/mol
LogP3.29
Rot. Bonds3

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

N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide (PubChem CID 146513803) has the molecular formula C15H12F4N4O and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide
PubChem CID146513803
Molecular FormulaC15H12F4N4O
Molecular Weight340.28 g/mol
Exact Mass340.09
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1ccc(F)n1
InChIInChI=1S/C15H12F4N4O/c1-14(2,23-6-5-12(16)22-23)13(24)21-10-4-3-9(8-20)11(7-10)15(17,18)19/h3-7H,1-2H3,(H,21,24)
InChIKeyJFXDIBNEXMBLTA-UHFFFAOYSA-N
XLogP3.29
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide (CID 146513803) is N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)n1ccc(F)n1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide?
The InChIKey is JFXDIBNEXMBLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N4O/c1-14(2,23-6-5-12(16)22-23)13(24)21-10-4-3-9(8-20)11(7-10)15(17,18)19/h3-7H,1-2H3,(H,21,24).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-(3-fluoropyrazol-1-yl)-2-methylpropanamide has a molecular weight of 340.28 g/mol, XLogP of 3.29, 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-(3-fluoropyrazol-1-yl)-2-methylpropanamide is sourced from PubChem (CID 146513803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).