(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone

C11H12FN5O — CID 127985271

IUPAC(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
SMILESCn1cc(-c2[nH]ncc2C(=O)N2CC(F)C2)cn1
InChIInChI=1S/C11H12FN5O/c1-16-4-7(2-14-16)10-9(3-13-15-10)11(18)17-5-8(12)6-17/h2-4,8H,5-6H2,1H3,(H,13,15)
InChIKeyNRFKCQPJBCHOSS-UHFFFAOYSA-N
MW249.25 g/mol
LogP0.60
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone

(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 127985271) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
PubChem CID127985271
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone
SMILESCn1cc(-c2[nH]ncc2C(=O)N2CC(F)C2)cn1
InChIInChI=1S/C11H12FN5O/c1-16-4-7(2-14-16)10-9(3-13-15-10)11(18)17-5-8(12)6-17/h2-4,8H,5-6H2,1H3,(H,13,15)
InChIKeyNRFKCQPJBCHOSS-UHFFFAOYSA-N
XLogP0.60
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone (CID 127985271) is (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone is Cn1cc(-c2[nH]ncc2C(=O)N2CC(F)C2)cn1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is NRFKCQPJBCHOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O/c1-16-4-7(2-14-16)10-9(3-13-15-10)11(18)17-5-8(12)6-17/h2-4,8H,5-6H2,1H3,(H,13,15).
What are the key properties of (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone?
(3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 249.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 127985271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).