2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone

C11H17N3O3 — CID 156675238

IUPAC2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone
SMILESO=C(CO)c1ccnn1CCN1CCOCC1
InChIInChI=1S/C11H17N3O3/c15-9-11(16)10-1-2-12-14(10)4-3-13-5-7-17-8-6-13/h1-2,15H,3-9H2
InChIKeyNYCNYPQCSYGYQH-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.61
Rot. Bonds5

About 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone

2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone (PubChem CID 156675238) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone
PubChem CID156675238
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone
SMILESO=C(CO)c1ccnn1CCN1CCOCC1
InChIInChI=1S/C11H17N3O3/c15-9-11(16)10-1-2-12-14(10)4-3-13-5-7-17-8-6-13/h1-2,15H,3-9H2
InChIKeyNYCNYPQCSYGYQH-UHFFFAOYSA-N
XLogP-0.61
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone (CID 156675238) is 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone is O=C(CO)c1ccnn1CCN1CCOCC1.
What is the InChIKey of 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone?
The InChIKey is NYCNYPQCSYGYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-9-11(16)10-1-2-12-14(10)4-3-13-5-7-17-8-6-13/h1-2,15H,3-9H2.
What are the key properties of 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone?
2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone has a molecular weight of 239.27 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(2-morpholin-4-ylethyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 156675238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).