(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

C12H19N3O2 — CID 78862552

IUPAC(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CC(C)OCC2C)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-10-5-11(14-13-10)12(16)15-6-9(3)17-7-8(15)2/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyPSASPCGJZPRETQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.22
Rot. Bonds2

About (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone

(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (PubChem CID 78862552) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
PubChem CID78862552
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
SMILESCCc1cc(C(=O)N2CC(C)OCC2C)n[nH]1
InChIInChI=1S/C12H19N3O2/c1-4-10-5-11(14-13-10)12(16)15-6-9(3)17-7-8(15)2/h5,8-9H,4,6-7H2,1-3H3,(H,13,14)
InChIKeyPSASPCGJZPRETQ-UHFFFAOYSA-N
XLogP1.22
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone (CID 78862552) is (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is CCc1cc(C(=O)N2CC(C)OCC2C)n[nH]1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
The InChIKey is PSASPCGJZPRETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-10-5-11(14-13-10)12(16)15-6-9(3)17-7-8(15)2/h5,8-9H,4,6-7H2,1-3H3,(H,13,14).
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone?
(2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone has a molecular weight of 237.30 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 78862552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).