2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

C21H18FN3O — CID 27371178

IUPAC2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1C
InChIInChI=1S/C21H18FN3O/c1-14-6-7-17(10-15(14)2)19-12-20-21(26)24(8-9-25(20)23-19)13-16-4-3-5-18(22)11-16/h3-12H,13H2,1-2H3
InChIKeyGPXSMAWKIKVRSY-UHFFFAOYSA-N
MW347.39 g/mol
LogP3.97
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one

2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 27371178) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID27371178
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESCc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1C
InChIInChI=1S/C21H18FN3O/c1-14-6-7-17(10-15(14)2)19-12-20-21(26)24(8-9-25(20)23-19)13-16-4-3-5-18(22)11-16/h3-12H,13H2,1-2H3
InChIKeyGPXSMAWKIKVRSY-UHFFFAOYSA-N
XLogP3.97
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-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-ethoxyphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093019
5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53332168
5-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 155977230
2-(3,4-dimethylphenyl)-5-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371170
2-(3,4-dimethylphenyl)-5-[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 95104750
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-3,4-difluorobenzamide
CID 91892874
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-propylpropanamide
CID 53332228
2-(1,3-benzodioxol-5-yl)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332204
2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332845
3-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide
CID 53332248
5-[(4-ethenylphenyl)methyl]-2-(4-ethylphenyl)pyrazolo[1,5-a]pyrazin-4-one
CID 27371202
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-2-phenylpyrazolo[1,5-a]pyrazin-5-yl)acetamide
CID 50795616

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 27371178) is 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is Cc1ccc(-c2cc3c(=O)n(Cc4cccc(F)c4)ccn3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is GPXSMAWKIKVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14-6-7-17(10-15(14)2)19-12-20-21(26)24(8-9-25(20)23-19)13-16-4-3-5-18(22)11-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 347.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 27371178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).