(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

C10H14BrN3O2 — CID 831786

IUPAC(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C(=O)N2CCOCC2)c(C)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-9(11)8(2)14(12-7)10(15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyOXZYAMKWJPXXRC-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.56
Rot. Bonds

About (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (PubChem CID 831786) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
PubChem CID831786
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C(=O)N2CCOCC2)c(C)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-9(11)8(2)14(12-7)10(15)13-3-5-16-6-4-13/h3-6H2,1-2H3
InChIKeyOXZYAMKWJPXXRC-UHFFFAOYSA-N
XLogP1.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (CID 831786) is (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is Cc1nn(C(=O)N2CCOCC2)c(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The InChIKey is OXZYAMKWJPXXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7-9(11)8(2)14(12-7)10(15)13-3-5-16-6-4-13/h3-6H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
(4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone has a molecular weight of 288.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 831786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).