2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine

C22H18FN3O — CID 56598525

IUPAC2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine
SMILESCOc1cccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c1
InChIInChI=1S/C22H18FN3O/c1-27-18-9-6-8-16(13-18)22-14-21(20-11-4-5-12-24-20)25-26(22)15-17-7-2-3-10-19(17)23/h2-14H,15H2,1H3
InChIKeyYTQRLYGTJXOPHC-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.81
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine

2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine (PubChem CID 56598525) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine
PubChem CID56598525
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine
SMILESCOc1cccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c1
InChIInChI=1S/C22H18FN3O/c1-27-18-9-6-8-16(13-18)22-14-21(20-11-4-5-12-24-20)25-26(22)15-17-7-2-3-10-19(17)23/h2-14H,15H2,1H3
InChIKeyYTQRLYGTJXOPHC-UHFFFAOYSA-N
XLogP4.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.81
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-(3-methoxyphenyl)pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine (CID 56598525) is 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine is COc1cccc(-c2cc(-c3ccccn3)nn2Cc2ccccc2F)c1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine?
The InChIKey is YTQRLYGTJXOPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c1-27-18-9-6-8-16(13-18)22-14-21(20-11-4-5-12-24-20)25-26(22)15-17-7-2-3-10-19(17)23/h2-14H,15H2,1H3.
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine?
2-[1-[(2-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazol-3-yl]pyridine has a molecular weight of 359.40 g/mol, XLogP of 4.81, 5 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-(3-methoxyphenyl)pyrazol-3-yl]pyridine is sourced from PubChem (CID 56598525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).