(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

C11H16BrN3O2 — CID 1220625

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(Br)cnn2C)C[C@@H](C)O1
InChIInChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKQJDENLJKNYSHN-HTQZYQBOSA-N
MW302.17 g/mol
LogP1.43
Rot. Bonds1

About (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone

(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 1220625) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID1220625
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2c(Br)cnn2C)C[C@@H](C)O1
InChIInChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyKQJDENLJKNYSHN-HTQZYQBOSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 1220625) is (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2c(Br)cnn2C)C[C@@H](C)O1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is KQJDENLJKNYSHN-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone?
(4-bromo-1-methylpyrazol-5-yl)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 302.17 g/mol, XLogP of 1.43, 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)-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 1220625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).