5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole

C9H14FN3 — CID 130636634

IUPAC5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1CN1CC(F)C1
InChIInChI=1S/C9H14FN3/c1-7-3-11-12(2)9(7)6-13-4-8(10)5-13/h3,8H,4-6H2,1-2H3
InChIKeyWCOMPPPUKLLWOA-UHFFFAOYSA-N
MW183.23 g/mol
LogP0.88
Rot. Bonds2

About 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole

5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole (PubChem CID 130636634) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole
PubChem CID130636634
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1CN1CC(F)C1
InChIInChI=1S/C9H14FN3/c1-7-3-11-12(2)9(7)6-13-4-8(10)5-13/h3,8H,4-6H2,1-2H3
InChIKeyWCOMPPPUKLLWOA-UHFFFAOYSA-N
XLogP0.88
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole?
The IUPAC name of 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole (CID 130636634) is 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole.
What is the SMILES notation for 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole?
The canonical SMILES for 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole is Cc1cnn(C)c1CN1CC(F)C1.
What is the InChIKey of 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole?
The InChIKey is WCOMPPPUKLLWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7-3-11-12(2)9(7)6-13-4-8(10)5-13/h3,8H,4-6H2,1-2H3.
What are the key properties of 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole?
5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole has a molecular weight of 183.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoroazetidin-1-yl)methyl]-1,4-dimethylpyrazole is sourced from PubChem (CID 130636634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).