ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate

C14H23N3O3 — CID 83095163

IUPACethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1cn(C)nc1C)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-20-14(18)9-13(17-5-7-19-8-6-17)12-10-16(3)15-11(12)2/h10,13H,4-9H2,1-3H3
InChIKeyUSWUFTRPTVVFDO-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.06
Rot. Bonds5

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

ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate (PubChem CID 83095163) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
PubChem CID83095163
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate
SMILESCCOC(=O)CC(c1cn(C)nc1C)N1CCOCC1
InChIInChI=1S/C14H23N3O3/c1-4-20-14(18)9-13(17-5-7-19-8-6-17)12-10-16(3)15-11(12)2/h10,13H,4-9H2,1-3H3
InChIKeyUSWUFTRPTVVFDO-UHFFFAOYSA-N
XLogP1.06
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate?
The IUPAC name of ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate (CID 83095163) is ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate.
What is the SMILES notation for ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate?
The canonical SMILES for ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate is CCOC(=O)CC(c1cn(C)nc1C)N1CCOCC1.
What is the InChIKey of ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate?
The InChIKey is USWUFTRPTVVFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-4-20-14(18)9-13(17-5-7-19-8-6-17)12-10-16(3)15-11(12)2/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate?
ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate has a molecular weight of 281.36 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 83095163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).