5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc

C13H8F3N4Zn- — CID 58858984

IUPAC5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc
SMILESFC(F)(F)c1cc(-c2cn(-c3ccccc3)cn2)[n-]n1.[Zn]
InChIInChI=1S/C13H8F3N4.Zn/c14-13(15,16)12-6-10(18-19-12)11-7-20(8-17-11)9-4-2-1-3-5-9;/h1-8H;/q-1;
InChIKeyBSGBMANYESNRSG-UHFFFAOYSA-N
MW342.62 g/mol
LogP2.91
Rot. Bonds2

About 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc

5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc (PubChem CID 58858984) has the molecular formula C13H8F3N4Zn- and a molecular weight of 342.62 g/mol. Its IUPAC name is 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc.

Molecular Properties

Compound Name5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc
PubChem CID58858984
Molecular FormulaC13H8F3N4Zn-
Molecular Weight342.62 g/mol
Exact Mass341.00
IUPAC Name5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc
SMILESFC(F)(F)c1cc(-c2cn(-c3ccccc3)cn2)[n-]n1.[Zn]
InChIInChI=1S/C13H8F3N4.Zn/c14-13(15,16)12-6-10(18-19-12)11-7-20(8-17-11)9-4-2-1-3-5-9;/h1-8H;/q-1;
InChIKeyBSGBMANYESNRSG-UHFFFAOYSA-N
XLogP2.91
TPSA44.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc 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

(3,5-Dimethyl-1-phenyl-pyrazol-4-yl)-thioxo-bis(1-vinylimidazol-2-yl)phosphorane
CID 2999024
6-(5-fluoro-2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574137
6-(4-fluoro-2-(1H-pyrazol-1-yl)phenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 44574138
1-Phenyl-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
CID 46980267
1-(4-Fluorophenyl)-4-[3-(1-pyrrolidin-1-ylbutan-2-yl)imidazol-4-yl]pyrazole
CID 46980325
1-[[1-[[1-(3-Fluorophenyl)pyrazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53570485
1-[[1-[(1-Phenylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 53583180
2-fluoro-N-[(1-methylimidazol-2-yl)methyl]-6-pyrazol-1-ylaniline
CID 75426060
Platinum(2+);3-(1-propan-2-ylimidazol-2-yl)-5-(trifluoromethyl)pyrazol-1-ide;2-[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine
CID 168346600
1-[2-(Pyrazol-1-yl)phenyl]imidazole
CID 125480234
1-[2-(3,5-Dimethylpyrazol-1-yl)phenyl]imidazole
CID 129857033
1-(4-fluorophenyl)-4-[(2-isopropyl-1H-imidazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole
CID 56867746

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc?
The IUPAC name of 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc (CID 58858984) is 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc.
What is the SMILES notation for 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc?
The canonical SMILES for 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc is FC(F)(F)c1cc(-c2cn(-c3ccccc3)cn2)[n-]n1.[Zn].
What is the InChIKey of 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc?
The InChIKey is BSGBMANYESNRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N4.Zn/c14-13(15,16)12-6-10(18-19-12)11-7-20(8-17-11)9-4-2-1-3-5-9;/h1-8H;/q-1;.
What are the key properties of 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc?
5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc has a molecular weight of 342.62 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylimidazol-4-yl)-3-(trifluoromethyl)pyrazol-1-ide;zinc is sourced from PubChem (CID 58858984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).