(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

C12H19N3O2 — CID 3319443

IUPAC(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H19N3O2/c1-4-11-9(2)13-15(10(11)3)12(16)14-5-7-17-8-6-14/h4-8H2,1-3H3
InChIKeyBPDMUPJGVLDOBN-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds1

About (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone

(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (PubChem CID 3319443) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
PubChem CID3319443
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone
SMILESCCc1c(C)nn(C(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H19N3O2/c1-4-11-9(2)13-15(10(11)3)12(16)14-5-7-17-8-6-14/h4-8H2,1-3H3
InChIKeyBPDMUPJGVLDOBN-UHFFFAOYSA-N
XLogP1.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone (CID 3319443) is (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is CCc1c(C)nn(C(=O)N2CCOCC2)c1C.
What is the InChIKey of (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
The InChIKey is BPDMUPJGVLDOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-11-9(2)13-15(10(11)3)12(16)14-5-7-17-8-6-14/h4-8H2,1-3H3.
What are the key properties of (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone?
(4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone has a molecular weight of 237.30 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-3,5-dimethylpyrazol-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3319443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).