(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone

C7H6BrF2N3O — CID 142620605

IUPAC(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1[nH]ncc1Br)N1CC(F)(F)C1
InChIInChI=1S/C7H6BrF2N3O/c8-4-1-11-12-5(4)6(14)13-2-7(9,10)3-13/h1H,2-3H2,(H,11,12)
InChIKeyUHBBUPUMMXIOOG-UHFFFAOYSA-N
MW266.04 g/mol
LogP1.26
Rot. Bonds1

About (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone

(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 142620605) has the molecular formula C7H6BrF2N3O and a molecular weight of 266.04 g/mol. Its IUPAC name is (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID142620605
Molecular FormulaC7H6BrF2N3O
Molecular Weight266.04 g/mol
Exact Mass264.97
IUPAC Name(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESO=C(c1[nH]ncc1Br)N1CC(F)(F)C1
InChIInChI=1S/C7H6BrF2N3O/c8-4-1-11-12-5(4)6(14)13-2-7(9,10)3-13/h1H,2-3H2,(H,11,12)
InChIKeyUHBBUPUMMXIOOG-UHFFFAOYSA-N
XLogP1.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.04
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone (CID 142620605) is (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone is O=C(c1[nH]ncc1Br)N1CC(F)(F)C1.
What is the InChIKey of (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is UHBBUPUMMXIOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2N3O/c8-4-1-11-12-5(4)6(14)13-2-7(9,10)3-13/h1H,2-3H2,(H,11,12).
What are the key properties of (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone?
(4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 266.04 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrazol-5-yl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 142620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).