2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

C10H14BrN3O2 — CID 56828824

IUPAC2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-8(14-7-9(11)6-12-14)10(15)13-2-4-16-5-3-13/h6-8H,2-5H2,1H3
InChIKeyAPGQLIJFPDWCSL-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.07
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one

2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 56828824) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID56828824
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cc(Br)cn1
InChIInChI=1S/C10H14BrN3O2/c1-8(14-7-9(11)6-12-14)10(15)13-2-4-16-5-3-13/h6-8H,2-5H2,1H3
InChIKeyAPGQLIJFPDWCSL-UHFFFAOYSA-N
XLogP1.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one (CID 56828824) is 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is APGQLIJFPDWCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-8(14-7-9(11)6-12-14)10(15)13-2-4-16-5-3-13/h6-8H,2-5H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one?
2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 288.14 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 56828824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).