acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline

C26H18F3N3 — CID 139093195

IUPACacetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCC#N.FC(F)(F)c1cc2c3ccccc3c(-c3ccccc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H15F3N2.C2H3N/c25-24(26,27)21-15-20-18-13-7-8-14-19(18)22(16-9-3-1-4-10-16)23(29(20)28-21)17-11-5-2-6-12-17;1-2-3/h1-15H;1H3
InChIKeyFTWKXZBWPPULSQ-UHFFFAOYSA-N
MW429.45 g/mol
LogP7.37
Rot. Bonds2

About acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline

acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (PubChem CID 139093195) has the molecular formula C26H18F3N3 and a molecular weight of 429.45 g/mol. Its IUPAC name is acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Nameacetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
PubChem CID139093195
Molecular FormulaC26H18F3N3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC Nameacetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline
SMILESCC#N.FC(F)(F)c1cc2c3ccccc3c(-c3ccccc3)c(-c3ccccc3)n2n1
InChIInChI=1S/C24H15F3N2.C2H3N/c25-24(26,27)21-15-20-18-13-7-8-14-19(18)22(16-9-3-1-4-10-16)23(29(20)28-21)17-11-5-2-6-12-17;1-2-3/h1-15H;1H3
InChIKeyFTWKXZBWPPULSQ-UHFFFAOYSA-N
XLogP7.37
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline 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

7,8-difluoro-1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990622
3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990629
1,3-diphenyl-1H-indazole
CID 12857750
3-phenyl-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-2H-indazole
CID 16739355
4-(4-Methylphenyl)-1,3-diphenylpyrazolo[4,5-c]quinoline
CID 145966969
1,3,4-Triphenylpyrazolo[4,5-c]quinoline
CID 145972160
7,8-difluoro-1-(3-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 6621679
5-Phenanthren-3-yl-1-phenyl-3-(trifluoromethyl)pyrazole
CID 49783974
6-Fluoro-2-[3-(4-fluorophenyl)-1-phenylpyrazol-5-yl]quinoline
CID 137639851
6-Fluoro-2-[5-(4-fluorophenyl)-1-phenylpyrazol-3-yl]quinoline
CID 137644767
2-(1,5-Diphenylpyrazol-3-yl)-6-fluoroquinoline
CID 142291652
2-(1,3-Diphenylpyrazol-5-yl)-6-fluoroquinoline
CID 142291654

Frequently Asked Questions

What is the IUPAC name of acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The IUPAC name of acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline (CID 139093195) is acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The canonical SMILES for acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is CC#N.FC(F)(F)c1cc2c3ccccc3c(-c3ccccc3)c(-c3ccccc3)n2n1.
What is the InChIKey of acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
The InChIKey is FTWKXZBWPPULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2.C2H3N/c25-24(26,27)21-15-20-18-13-7-8-14-19(18)22(16-9-3-1-4-10-16)23(29(20)28-21)17-11-5-2-6-12-17;1-2-3/h1-15H;1H3.
What are the key properties of acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline?
acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline has a molecular weight of 429.45 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;5,6-diphenyl-2-(trifluoromethyl)pyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 139093195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).