{[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R’)H, R = organyl group and R’= aryl group.

N-arylamides

Organic compounds

Organonitrogen compounds

N-arylamides

Calculated Property

kind Value Source
logP 3.01 ALOGPS
logS -4.9 ALOGPS
Water Solubility 4.35e-03 g/l ALOGPS
logP 3.28 ChemAxon
IUPAC Name 4-(2,6-difluorobenzamido)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide ChemAxon
Traditional IUPAC Name 4-(2,6-difluorobenzamido)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide ChemAxon
Molecular Weight 360.29 ChemAxon
Monoisotopic Weight 360.083410231 ChemAxon
SMILES FC1=CC=C(NC(=O)C2=NNC=C2NC(=O)C2=C(F)C=CC=C2F)C=C1 ChemAxon
Molecular Formula C17H11F3N4O2 ChemAxon
InChI InChI=1S/C17H11F3N4O2/c18-9-4-6-10(7-5-9)22-17(26)15-13(8-21-24-15)23-16(25)14-11(19)2-1-3-12(14)20/h1-8H,(H,21,24)(H,22,26)(H,23,25) ChemAxon
InChIKey InChIKey=BDRDBXXWQDFXEC-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 86.88 ChemAxon
Refractivity 91.09 ChemAxon
Polarizability 31.06 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 3 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 9.22 ChemAxon
pKa (strongest basic) -0.82 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Cyclin-dependent kinase 2 : in Human