ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate

C12H19N3O3 — CID 126482572

IUPACethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC)nc1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-9-10(12(16)18-4-2)11(13-15)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeyRYSQXMLJAPUHGY-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.92
Rot. Bonds4

About ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate

ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 126482572) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID126482572
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nameethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(CC)nc1N1CCOCC1
InChIInChI=1S/C12H19N3O3/c1-3-15-9-10(12(16)18-4-2)11(13-15)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3
InChIKeyRYSQXMLJAPUHGY-UHFFFAOYSA-N
XLogP0.92
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 252927
US11390631, Example 488
CID 134461736
ethyl 4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 135741791
US11390631, Example 438
CID 126482386
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
ethyl 6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136558343
Ethyl 5-propanamido-1-[2-(propanoyloxy)ethyl]-1H-pyrazole-4-carboxylate
CID 45106288
Ethyl 3-amino-1-prop-2-enylpyrazole-4-carboxylate
CID 90926301

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate (CID 126482572) is ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(CC)nc1N1CCOCC1.
What is the InChIKey of ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is RYSQXMLJAPUHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-3-15-9-10(12(16)18-4-2)11(13-15)14-5-7-17-8-6-14/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-3-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 126482572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).