azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone

C10H14BrN3O — CID 114669872

IUPACazetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1CNC1
InChIInChI=1S/C10H14BrN3O/c1-6(2)14-9(8(11)5-13-14)10(15)7-3-12-4-7/h5-7,12H,3-4H2,1-2H3
InChIKeyOAIITNFHYJOWDQ-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.63
Rot. Bonds3

About azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone

azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114669872) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114669872
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Nameazetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1ncc(Br)c1C(=O)C1CNC1
InChIInChI=1S/C10H14BrN3O/c1-6(2)14-9(8(11)5-13-14)10(15)7-3-12-4-7/h5-7,12H,3-4H2,1-2H3
InChIKeyOAIITNFHYJOWDQ-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-cyclopropylmethanone
CID 114639277
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639673
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 114642283
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methylcyclopentyl)methanone
CID 107187514
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2-methyloxolan-3-yl)methanone
CID 115805405
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1,4-dithian-2-yl)methanone
CID 114641542
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbut-2-en-1-one
CID 103455630
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(3,5-dibromophenyl)methanone
CID 107977405
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-chloro-2,2-difluoroethanone
CID 114642269
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,2-difluoropropan-1-one
CID 130648385
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 114671265

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone (CID 114669872) is azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone is CC(C)n1ncc(Br)c1C(=O)C1CNC1.
What is the InChIKey of azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is OAIITNFHYJOWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6(2)14-9(8(11)5-13-14)10(15)7-3-12-4-7/h5-7,12H,3-4H2,1-2H3.
What are the key properties of azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone?
azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).