1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone

C12H17N3O3 — CID 2928061

IUPAC1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H17N3O3/c1-8-11(10(3)16)9(2)15(13-8)12(17)14-4-6-18-7-5-14/h4-7H2,1-3H3
InChIKeyVOFZKKYKBUGEQV-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.00
Rot. Bonds1

About 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone

1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone (PubChem CID 2928061) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone
PubChem CID2928061
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H17N3O3/c1-8-11(10(3)16)9(2)15(13-8)12(17)14-4-6-18-7-5-14/h4-7H2,1-3H3
InChIKeyVOFZKKYKBUGEQV-UHFFFAOYSA-N
XLogP1.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone (CID 2928061) is 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(C(=O)N2CCOCC2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone?
The InChIKey is VOFZKKYKBUGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-11(10(3)16)9(2)15(13-8)12(17)14-4-6-18-7-5-14/h4-7H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone?
1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone has a molecular weight of 251.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(morpholine-4-carbonyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 2928061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).