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5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine

C21H16FN3O — CID 174504721

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine
SMILESCOc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C21H16FN3O/c1-26-20-14-24-25(21(20)17-9-5-6-10-18(17)22)16-11-12-19(23-13-16)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyZFUGPMPLSPCPGX-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.75
Rot. Bonds4

About 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine

5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine (PubChem CID 174504721) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine.

Molecular Properties

Compound Name5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine
PubChem CID174504721
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine
SMILESCOc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F
InChIInChI=1S/C21H16FN3O/c1-26-20-14-24-25(21(20)17-9-5-6-10-18(17)22)16-11-12-19(23-13-16)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyZFUGPMPLSPCPGX-UHFFFAOYSA-N
XLogP4.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine?
The IUPAC name of 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine (CID 174504721) is 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine.
What is the SMILES notation for 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine?
The canonical SMILES for 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine is COc1cnn(-c2ccc(-c3ccccc3)nc2)c1-c1ccccc1F.
What is the InChIKey of 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine?
The InChIKey is ZFUGPMPLSPCPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-26-20-14-24-25(21(20)17-9-5-6-10-18(17)22)16-11-12-19(23-13-16)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine?
5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine has a molecular weight of 345.38 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-fluorophenyl)-4-methoxypyrazol-1-yl]-2-phenylpyridine is sourced from PubChem (CID 174504721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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