2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine

C18H17FN4 — CID 141198885

IUPAC2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESFc1ccc(Cc2cc(-c3ccccn3)nn2C2CNC2)cc1
InChIInChI=1S/C18H17FN4/c19-14-6-4-13(5-7-14)9-15-10-18(17-3-1-2-8-21-17)22-23(15)16-11-20-12-16/h1-8,10,16,20H,9,11-12H2
InChIKeyFNVMTTSLZAIJJD-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.82
Rot. Bonds4

About 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine

2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine (PubChem CID 141198885) has the molecular formula C18H17FN4 and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine
PubChem CID141198885
Molecular FormulaC18H17FN4
Molecular Weight308.36 g/mol
Exact Mass308.14
IUPAC Name2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine
SMILESFc1ccc(Cc2cc(-c3ccccn3)nn2C2CNC2)cc1
InChIInChI=1S/C18H17FN4/c19-14-6-4-13(5-7-14)9-15-10-18(17-3-1-2-8-21-17)22-23(15)16-11-20-12-16/h1-8,10,16,20H,9,11-12H2
InChIKeyFNVMTTSLZAIJJD-UHFFFAOYSA-N
XLogP2.82
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The IUPAC name of 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine (CID 141198885) is 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The canonical SMILES for 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine is Fc1ccc(Cc2cc(-c3ccccn3)nn2C2CNC2)cc1.
What is the InChIKey of 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
The InChIKey is FNVMTTSLZAIJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4/c19-14-6-4-13(5-7-14)9-15-10-18(17-3-1-2-8-21-17)22-23(15)16-11-20-12-16/h1-8,10,16,20H,9,11-12H2.
What are the key properties of 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine?
2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine has a molecular weight of 308.36 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)-5-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyridine is sourced from PubChem (CID 141198885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).