5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole

C7H10FN3 — CID 126995014

IUPAC5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
SMILESFC1CN(Cc2ccn[nH]2)C1
InChIInChI=1S/C7H10FN3/c8-6-3-11(4-6)5-7-1-2-9-10-7/h1-2,6H,3-5H2,(H,9,10)
InChIKeyNRGDHYQJKZYDHM-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.56
Rot. Bonds2

About 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole

5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole (PubChem CID 126995014) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
PubChem CID126995014
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC Name5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole
SMILESFC1CN(Cc2ccn[nH]2)C1
InChIInChI=1S/C7H10FN3/c8-6-3-11(4-6)5-7-1-2-9-10-7/h1-2,6H,3-5H2,(H,9,10)
InChIKeyNRGDHYQJKZYDHM-UHFFFAOYSA-N
XLogP0.56
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The IUPAC name of 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole (CID 126995014) is 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole.
What is the SMILES notation for 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The canonical SMILES for 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole is FC1CN(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
The InChIKey is NRGDHYQJKZYDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3/c8-6-3-11(4-6)5-7-1-2-9-10-7/h1-2,6H,3-5H2,(H,9,10).
What are the key properties of 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole?
5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole has a molecular weight of 155.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoroazetidin-1-yl)methyl]-1H-pyrazole is sourced from PubChem (CID 126995014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).