1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one

C11H15N3O3 — CID 754448

IUPAC1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one
SMILESCCC(=O)n1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-10(15)14-4-3-9(12-14)11(16)13-5-7-17-8-6-13/h3-4H,2,5-8H2,1H3
InChIKeyDZHAXLCMGLRDSU-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.41
Rot. Bonds2

About 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one

1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one (PubChem CID 754448) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one
PubChem CID754448
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one
SMILESCCC(=O)n1ccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C11H15N3O3/c1-2-10(15)14-4-3-9(12-14)11(16)13-5-7-17-8-6-13/h3-4H,2,5-8H2,1H3
InChIKeyDZHAXLCMGLRDSU-UHFFFAOYSA-N
XLogP0.41
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one (CID 754448) is 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one is CCC(=O)n1ccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one?
The InChIKey is DZHAXLCMGLRDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-10(15)14-4-3-9(12-14)11(16)13-5-7-17-8-6-13/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one?
1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one has a molecular weight of 237.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(morpholine-4-carbonyl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 754448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).