(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone

C9H12BrN3O2 — CID 1219641

IUPAC(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCn1ncc(Br)c1C(=O)N1CCOCC1
InChIInChI=1S/C9H12BrN3O2/c1-12-8(7(10)6-11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyUHESVYQVHXIISM-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.65
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone

(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 1219641) has the molecular formula C9H12BrN3O2 and a molecular weight of 274.12 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID1219641
Molecular FormulaC9H12BrN3O2
Molecular Weight274.12 g/mol
Exact Mass273.01
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCn1ncc(Br)c1C(=O)N1CCOCC1
InChIInChI=1S/C9H12BrN3O2/c1-12-8(7(10)6-11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3
InChIKeyUHESVYQVHXIISM-UHFFFAOYSA-N
XLogP0.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone (CID 1219641) is (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone is Cn1ncc(Br)c1C(=O)N1CCOCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is UHESVYQVHXIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O2/c1-12-8(7(10)6-11-12)9(14)13-2-4-15-5-3-13/h6H,2-5H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone?
(4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 274.12 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 1219641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).