Metabolite 4-formyl-amino-antipyrine (FAA)
- Name
- 4-formyl-amino-antipyrine (FAA)
- Description
- Not Available
- Structure
Structure for 4-formyl-amino-antipyrine (FAA)
- Synonyms
- Not Available
- UNII
- 63DKU1M0XK
- CAS number
- Not Available
- Weight
- Average: 231.255
Monoisotopic: 231.100776671 - Chemical Formula
- C12H13N3O2
- InChI Key
- WSJBSKRPKADYRQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
- IUPAC Name
- N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide
- SMILES
- CN1N(C(=O)C(NC=O)=C1C)C1=CC=CC=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Human Metabolome Database
- HMDB0246429
- ChemSpider
- 65525
- ChEBI
- 83526
- ZINC
- ZINC000000301550
- Predicted Properties
Property Value Source Water Solubility 5.24 mg/mL ALOGPS logP 0.28 ALOGPS logP 0.11 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 12.66 Chemaxon pKa (Strongest Basic) -0.75 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 52.65 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 65 m3·mol-1 Chemaxon Polarizability 24.12 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon