2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

C13H20ClN3O2 — CID 56725380

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3
InChIKeyZGSLRZBKLSXKBA-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.79
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 56725380) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID56725380
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl
InChIInChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3
InChIKeyZGSLRZBKLSXKBA-UHFFFAOYSA-N
XLogP1.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 56725380) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is Cc1nn(CC(=O)N2CC(C)OC(C)C2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is ZGSLRZBKLSXKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8-5-16(6-9(2)19-8)12(18)7-17-11(4)13(14)10(3)15-17/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 285.77 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 56725380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).