3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine

C16H12FN3 — CID 53392947

IUPAC3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine
SMILESFc1ccc(-c2[nH]ncc2/C=C/c2cccnc2)cc1
InChIInChI=1S/C16H12FN3/c17-15-7-5-13(6-8-15)16-14(11-19-20-16)4-3-12-2-1-9-18-10-12/h1-11H,(H,19,20)/b4-3+
InChIKeyGVVDUGQKHNICSJ-ONEGZZNKSA-N
MW265.29 g/mol
LogP3.78
Rot. Bonds3

About 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine

3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine (PubChem CID 53392947) has the molecular formula C16H12FN3 and a molecular weight of 265.29 g/mol. Its IUPAC name is 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine
PubChem CID53392947
Molecular FormulaC16H12FN3
Molecular Weight265.29 g/mol
Exact Mass265.10
IUPAC Name3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine
SMILESFc1ccc(-c2[nH]ncc2/C=C/c2cccnc2)cc1
InChIInChI=1S/C16H12FN3/c17-15-7-5-13(6-8-15)16-14(11-19-20-16)4-3-12-2-1-9-18-10-12/h1-11H,(H,19,20)/b4-3+
InChIKeyGVVDUGQKHNICSJ-ONEGZZNKSA-N
XLogP3.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine 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 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine (CID 53392947) is 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine is Fc1ccc(-c2[nH]ncc2/C=C/c2cccnc2)cc1.
What is the InChIKey of 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine?
The InChIKey is GVVDUGQKHNICSJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H12FN3/c17-15-7-5-13(6-8-15)16-14(11-19-20-16)4-3-12-2-1-9-18-10-12/h1-11H,(H,19,20)/b4-3+.
What are the key properties of 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine?
3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine has a molecular weight of 265.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl]pyridine is sourced from PubChem (CID 53392947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).