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

C11H17N3O3 — CID 126482814

IUPACethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1N1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-3-17-11(15)9-8-13(2)12-10(9)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKeyUFXTTZVGNGGPNQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.43
Rot. Bonds3

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

ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 126482814) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID126482814
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C)nc1N1CCOCC1
InChIInChI=1S/C11H17N3O3/c1-3-17-11(15)9-8-13(2)12-10(9)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3
InChIKeyUFXTTZVGNGGPNQ-UHFFFAOYSA-N
XLogP0.43
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate (CID 126482814) is ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(C)nc1N1CCOCC1.
What is the InChIKey of ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is UFXTTZVGNGGPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-17-11(15)9-8-13(2)12-10(9)14-4-6-16-7-5-14/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-3-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 126482814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).