trivial
AB-CHFUPYCA
systemic
'N'-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1'H'-pyrazole-5-carboxamide
AB-CHFUPYCA
systemic
'N'-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-3-(4-fluorophenyl)-1'H'-pyrazole-5-carboxamide
Identifiers
InChIKey: NDYOOVJIZQTGHY-UHFFFAOYSA-N
Formula: C22H29FN4O2
CAS Registry numbers:
Descriptors
Bioavailability-related
Molecular weight: 400.23 DaPartition coefficient: 3.51
H bond donors: 3
H bond acceptors: 6
Rotatable bonds: 8
Molar refractivity: 109.48 J mol-1 K-1
Polar surface area: 90.01 Å2
Generic
Stereocenters: 1Heteroatoms: 7
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 2
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 1
Aliphatic carbocycles: 1
Aliphatic heterocycles: 0