2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one

C14H9F3N2O2 — CID 141383844

IUPAC2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1c2cccn2cc(-c2ccc(C(F)(F)F)cc2)n1O
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)12-8-18-7-1-2-11(18)13(20)19(12)21/h1-8,21H
InChIKeyZTHHXEKYDNOGJS-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.02
Rot. Bonds1

About 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one

2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one (PubChem CID 141383844) has the molecular formula C14H9F3N2O2 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one
PubChem CID141383844
Molecular FormulaC14H9F3N2O2
Molecular Weight294.23 g/mol
Exact Mass294.06
IUPAC Name2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one
SMILESO=c1c2cccn2cc(-c2ccc(C(F)(F)F)cc2)n1O
InChIInChI=1S/C14H9F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)12-8-18-7-1-2-11(18)13(20)19(12)21/h1-8,21H
InChIKeyZTHHXEKYDNOGJS-UHFFFAOYSA-N
XLogP3.02
TPSA46.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117137722
8-bromo-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 115404975
8-methyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 70111525
[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl] carbamate
CID 69371327
3-[4-(trifluoromethyl)phenyl]-1H-pyrrolo[1,2-b]pyrazole
CID 172852374
3-iodo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-one
CID 79785653
1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrole-2-carboxylic acid
CID 43671677
3-bromo-1-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 172515069
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
3-[4-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),8,10-tetraene
CID 19038038
1-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 130182854
8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one (CID 141383844) is 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one is O=c1c2cccn2cc(-c2ccc(C(F)(F)F)cc2)n1O.
What is the InChIKey of 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is ZTHHXEKYDNOGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O2/c15-14(16,17)10-5-3-9(4-6-10)12-8-18-7-1-2-11(18)13(20)19(12)21/h1-8,21H.
What are the key properties of 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one?
2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 294.23 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[4-(trifluoromethyl)phenyl]pyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 141383844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).