4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine

C21H16FN3O — CID 177374956

IUPAC4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H16FN3O/c22-20-7-2-1-4-17(20)14-26-18-6-3-5-16(12-18)21-19(13-24-25-21)15-8-10-23-11-9-15/h1-13H,14H2,(H,24,25)
InChIKeyNXHYNRVQMNWSGW-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.86
Rot. Bonds5

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

4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 177374956) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
PubChem CID177374956
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine
SMILESFc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncc2)c1
InChIInChI=1S/C21H16FN3O/c22-20-7-2-1-4-17(20)14-26-18-6-3-5-16(12-18)21-19(13-24-25-21)15-8-10-23-11-9-15/h1-13H,14H2,(H,24,25)
InChIKeyNXHYNRVQMNWSGW-UHFFFAOYSA-N
XLogP4.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine (CID 177374956) is 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine is Fc1ccccc1COc1cccc(-c2[nH]ncc2-c2ccncc2)c1.
What is the InChIKey of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is NXHYNRVQMNWSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c22-20-7-2-1-4-17(20)14-26-18-6-3-5-16(12-18)21-19(13-24-25-21)15-8-10-23-11-9-15/h1-13H,14H2,(H,24,25).
What are the key properties of 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine?
4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 345.38 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[(2-fluorophenyl)methoxy]phenyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 177374956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).