2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine

C19H14FN3S — CID 56598661

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine
SMILESC1=CC=C(C(=C1)CN2C(=CC(=N2)C3=CC=CC=N3)C4=CSC=C4)F
InChIInChI=1S/C19H14FN3S/c20-16-6-2-1-5-14(16)12-23-19(15-8-10-24-13-15)11-18(22-23)17-7-3-4-9-21-17/h1-11,13H,12H2
InChIKeyPYYVDZHBVINASB-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.90
Rot. Bonds4

About 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine

2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine (PubChem CID 56598661) has the molecular formula C19H14FN3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine
PubChem CID56598661
Molecular FormulaC19H14FN3S
Molecular Weight335.40 g/mol
Exact Mass335.09
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine
SMILESC1=CC=C(C(=C1)CN2C(=CC(=N2)C3=CC=CC=N3)C4=CSC=C4)F
InChIInChI=1S/C19H14FN3S/c20-16-6-2-1-5-14(16)12-23-19(15-8-10-24-13-15)11-18(22-23)17-7-3-4-9-21-17/h1-11,13H,12H2
InChIKeyPYYVDZHBVINASB-UHFFFAOYSA-N
XLogP3.90
TPSA59.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity410

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine (CID 56598661) is 2-[1-[(2-fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine is C1=CC=C(C(=C1)CN2C(=CC(=N2)C3=CC=CC=N3)C4=CSC=C4)F.
What is the InChIKey of 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine?
The InChIKey is PYYVDZHBVINASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3S/c20-16-6-2-1-5-14(16)12-23-19(15-8-10-24-13-15)11-18(22-23)17-7-3-4-9-21-17/h1-11,13H,12H2.
What are the key properties of 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine?
2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine has a molecular weight of 335.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-Fluorophenyl)methyl]-5-thiophen-3-ylpyrazol-3-yl]pyridine is sourced from PubChem (CID 56598661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).