2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone

C11H16ClN3O2 — CID 5305771

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1nn(CC(=O)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-8-11(12)9(2)15(13-8)7-10(16)14-3-5-17-6-4-14/h3-7H2,1-2H3
InChIKeyGBJXIMBFZBRNQY-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.01
Rot. Bonds2

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone (PubChem CID 5305771) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone
PubChem CID5305771
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone
SMILESCc1nn(CC(=O)N2CCOCC2)c(C)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-8-11(12)9(2)15(13-8)7-10(16)14-3-5-17-6-4-14/h3-7H2,1-2H3
InChIKeyGBJXIMBFZBRNQY-UHFFFAOYSA-N
XLogP1.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.01
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-morpholin-4-ylethanone?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone (CID 5305771) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone is Cc1nn(CC(=O)N2CCOCC2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is GBJXIMBFZBRNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-11(12)9(2)15(13-8)7-10(16)14-3-5-17-6-4-14/h3-7H2,1-2H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 257.72 g/mol, XLogP of 1.01, 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-morpholin-4-ylethanone is sourced from PubChem (CID 5305771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).