2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

C24H16F3N3O — CID 53332186

IUPAC2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)18-8-3-5-16(13-18)15-29-11-12-30-22(23(29)31)14-21(28-30)20-10-4-7-17-6-1-2-9-19(17)20/h1-14H,15H2
InChIKeyJEBMKSUNTCBUBK-UHFFFAOYSA-N
MW419.41 g/mol
LogP5.38
Rot. Bonds3

About 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one

2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 53332186) has the molecular formula C24H16F3N3O and a molecular weight of 419.41 g/mol. Its IUPAC name is 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
PubChem CID53332186
Molecular FormulaC24H16F3N3O
Molecular Weight419.41 g/mol
Exact Mass419.12
IUPAC Name2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one
SMILESO=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H16F3N3O/c25-24(26,27)18-8-3-5-16(13-18)15-29-11-12-30-22(23(29)31)14-21(28-30)20-10-4-7-17-6-1-2-9-19(17)20/h1-14H,15H2
InChIKeyJEBMKSUNTCBUBK-UHFFFAOYSA-N
XLogP5.38
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3,4-dimethylphenyl)methyl]-2-naphthalen-1-ylpyrazolo[1,5-a]pyrazin-4-one
CID 53332168
2-naphthalen-1-yl-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076279
2-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71802717
3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-one
CID 4809358
2-(2-butoxyphenyl)-5-[(3-chlorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092944
2-(4-methylphenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53076177
5-benzyl-2-cyclopropylpyrazolo[1,5-a]pyrazin-4-one
CID 171146184
2-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53093019
2-(2-butoxyphenyl)-5-[(4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53092949
2-(3,4-dimethylphenyl)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrazin-4-one
CID 27371178
2-(4-fluorophenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 53331785
4-(2-phenylethyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
CID 53058762

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one (CID 53332186) is 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JEBMKSUNTCBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O/c25-24(26,27)18-8-3-5-16(13-18)15-29-11-12-30-22(23(29)31)14-21(28-30)20-10-4-7-17-6-1-2-9-19(17)20/h1-14H,15H2.
What are the key properties of 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one?
2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 419.41 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 53332186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).