4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline

C18H12F3N5 — CID 135922389

IUPAC4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline
SMILESFC(F)(F)c1cnc(-c2[nH]ncc2/C=C/c2cncc3ccccc23)[nH]1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)/b6-5+
InChIKeyFVEOSFBMLSDRHJ-AATRIKPKSA-N
MW355.32 g/mol
LogP4.54
Rot. Bonds3

About 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline

4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline (PubChem CID 135922389) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline.

Molecular Properties

Compound Name4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline
PubChem CID135922389
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC Name4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline
SMILESFC(F)(F)c1cnc(-c2[nH]ncc2/C=C/c2cncc3ccccc23)[nH]1
InChIInChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)/b6-5+
InChIKeyFVEOSFBMLSDRHJ-AATRIKPKSA-N
XLogP4.54
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The IUPAC name of 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline (CID 135922389) is 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline.
What is the SMILES notation for 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The canonical SMILES for 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline is FC(F)(F)c1cnc(-c2[nH]ncc2/C=C/c2cncc3ccccc23)[nH]1.
What is the InChIKey of 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline?
The InChIKey is FVEOSFBMLSDRHJ-AATRIKPKSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-18(20,21)15-10-23-17(25-15)16-13(9-24-26-16)6-5-12-8-22-7-11-3-1-2-4-14(11)12/h1-10H,(H,23,25)(H,24,26)/b6-5+.
What are the key properties of 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline?
4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline has a molecular weight of 355.32 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]isoquinoline is sourced from PubChem (CID 135922389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).