2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine

C20H15FN4 — CID 56598122

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccccn1
InChIInChI=1S/C20H15FN4/c21-16-8-2-1-7-15(16)14-25-20(18-10-4-6-12-23-18)13-19(24-25)17-9-3-5-11-22-17/h1-13H,14H2
InChIKeyRBELPJXFLWVNDS-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.19
Rot. Bonds4

About 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine

2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine (PubChem CID 56598122) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
PubChem CID56598122
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine
SMILESFc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccccn1
InChIInChI=1S/C20H15FN4/c21-16-8-2-1-7-15(16)14-25-20(18-10-4-6-12-23-18)13-19(24-25)17-9-3-5-11-22-17/h1-13H,14H2
InChIKeyRBELPJXFLWVNDS-UHFFFAOYSA-N
XLogP4.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.19
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]-3-pyridin-2-ylpyrazol-5-yl]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine (CID 56598122) is 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine is Fc1ccccc1Cn1nc(-c2ccccn2)cc1-c1ccccn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine?
The InChIKey is RBELPJXFLWVNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c21-16-8-2-1-7-15(16)14-25-20(18-10-4-6-12-23-18)13-19(24-25)17-9-3-5-11-22-17/h1-13H,14H2.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine?
2-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]pyridine has a molecular weight of 330.37 g/mol, XLogP of 4.19, 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]-3-pyridin-2-ylpyrazol-5-yl]pyridine is sourced from PubChem (CID 56598122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).