(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

C18H24N4O2 — CID 48690072

IUPAC(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCCc1c(C(=O)N2CC(C)OC(C)(C)C2)cnn1-c1ccccn1
InChIInChI=1S/C18H24N4O2/c1-5-15-14(10-20-22(15)16-8-6-7-9-19-16)17(23)21-11-13(2)24-18(3,4)12-21/h6-10,13H,5,11-12H2,1-4H3
InChIKeyVDKAQSXIFHYRHU-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.47
Rot. Bonds3

About (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone

(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (PubChem CID 48690072) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
PubChem CID48690072
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
SMILESCCc1c(C(=O)N2CC(C)OC(C)(C)C2)cnn1-c1ccccn1
InChIInChI=1S/C18H24N4O2/c1-5-15-14(10-20-22(15)16-8-6-7-9-19-16)17(23)21-11-13(2)24-18(3,4)12-21/h6-10,13H,5,11-12H2,1-4H3
InChIKeyVDKAQSXIFHYRHU-UHFFFAOYSA-N
XLogP2.47
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone (CID 48690072) is (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is CCc1c(C(=O)N2CC(C)OC(C)(C)C2)cnn1-c1ccccn1.
What is the InChIKey of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
The InChIKey is VDKAQSXIFHYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-15-14(10-20-22(15)16-8-6-7-9-19-16)17(23)21-11-13(2)24-18(3,4)12-21/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone?
(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1-pyridin-2-ylpyrazol-4-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 48690072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).