N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide

C14H24N4O3 — CID 75399233

IUPACN-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCOCCNC(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C14H24N4O3/c1-10-13(11(2)17(3)16-10)12-9-21-8-6-18(12)14(19)15-5-7-20-4/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyPZDRDVRUAVROLQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.77
Rot. Bonds4

About N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide

N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 75399233) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
PubChem CID75399233
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC NameN-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
SMILESCOCCNC(=O)N1CCOCC1c1c(C)nn(C)c1C
InChIInChI=1S/C14H24N4O3/c1-10-13(11(2)17(3)16-10)12-9-21-8-6-18(12)14(19)15-5-7-20-4/h12H,5-9H2,1-4H3,(H,15,19)
InChIKeyPZDRDVRUAVROLQ-UHFFFAOYSA-N
XLogP0.77
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide (CID 75399233) is N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is COCCNC(=O)N1CCOCC1c1c(C)nn(C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is PZDRDVRUAVROLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-10-13(11(2)17(3)16-10)12-9-21-8-6-18(12)14(19)15-5-7-20-4/h12H,5-9H2,1-4H3,(H,15,19).
What are the key properties of N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide?
N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75399233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).