(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone

C11H16BrN3O2 — CID 167438227

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)N1CCOCC1
InChIInChI=1S/C11H16BrN3O2/c1-8(2)15-10(9(12)7-13-15)11(16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyQCEBLJRVEZAXLA-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.70
Rot. Bonds2

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone

(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 167438227) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID167438227
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCC(C)n1ncc(Br)c1C(=O)N1CCOCC1
InChIInChI=1S/C11H16BrN3O2/c1-8(2)15-10(9(12)7-13-15)11(16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyQCEBLJRVEZAXLA-UHFFFAOYSA-N
XLogP1.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone (CID 167438227) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone is CC(C)n1ncc(Br)c1C(=O)N1CCOCC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is QCEBLJRVEZAXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-8(2)15-10(9(12)7-13-15)11(16)14-3-5-17-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 302.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 167438227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).