1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole

C13H14FN3 — CID 84794344

IUPAC1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-c1cnn(CC2CNC2)c1
InChIInChI=1S/C13H14FN3/c14-13-4-2-1-3-12(13)11-7-16-17(9-11)8-10-5-15-6-10/h1-4,7,9-10,15H,5-6,8H2
InChIKeyRFFYUMNKFATGGM-UHFFFAOYSA-N
MW231.27 g/mol
LogP1.91
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole

1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole (PubChem CID 84794344) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
PubChem CID84794344
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole
SMILESFc1ccccc1-c1cnn(CC2CNC2)c1
InChIInChI=1S/C13H14FN3/c14-13-4-2-1-3-12(13)11-7-16-17(9-11)8-10-5-15-6-10/h1-4,7,9-10,15H,5-6,8H2
InChIKeyRFFYUMNKFATGGM-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole (CID 84794344) is 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole is Fc1ccccc1-c1cnn(CC2CNC2)c1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole?
The InChIKey is RFFYUMNKFATGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-13-4-2-1-3-12(13)11-7-16-17(9-11)8-10-5-15-6-10/h1-4,7,9-10,15H,5-6,8H2.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole?
1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole has a molecular weight of 231.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-(2-fluorophenyl)pyrazole is sourced from PubChem (CID 84794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).