ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate

C15H25N3O3 — CID 116631883

IUPACethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN1CC(C)OCC1CC
InChIInChI=1S/C15H25N3O3/c1-5-12-10-21-11(3)8-18(12)9-14-13(7-16-17(14)4)15(19)20-6-2/h7,11-12H,5-6,8-10H2,1-4H3
InChIKeyFLROKWCTLLBNSP-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.60
Rot. Bonds5

About ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate

ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate (PubChem CID 116631883) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
PubChem CID116631883
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Nameethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1CN1CC(C)OCC1CC
InChIInChI=1S/C15H25N3O3/c1-5-12-10-21-11(3)8-18(12)9-14-13(7-16-17(14)4)15(19)20-6-2/h7,11-12H,5-6,8-10H2,1-4H3
InChIKeyFLROKWCTLLBNSP-UHFFFAOYSA-N
XLogP1.60
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116632169
ethyl 1-methyl-5-[(2-propylpiperidin-1-yl)methyl]pyrazole-4-carboxylate
CID 116632280
ethyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116631859
ethyl 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-1-methylpyrazole-4-carboxylate
CID 116632429
ethyl 1-methyl-5-[[(3S)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574199
ethyl 5-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 102782160
ethyl 1-methyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]pyrazole-4-carboxylate
CID 124574200
ethyl 5-[[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632264
ethyl 1-methyl-5-[[(2-methylcyclopropyl)amino]methyl]pyrazole-4-carboxylate
CID 116631108
ethyl 5-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1-methylpyrazole-4-carboxylate
CID 116632162
ethyl 1-methyl-5-[(3-oxopiperazin-1-yl)methyl]pyrazole-4-carboxylate
CID 116631707
ethyl 5-[(2,7-dioxoazepan-1-yl)methyl]-1-methylpyrazole-4-carboxylate
CID 116630223

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate (CID 116631883) is ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1CN1CC(C)OCC1CC.
What is the InChIKey of ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate?
The InChIKey is FLROKWCTLLBNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-5-12-10-21-11(3)8-18(12)9-14-13(7-16-17(14)4)15(19)20-6-2/h7,11-12H,5-6,8-10H2,1-4H3.
What are the key properties of ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-ethyl-2-methylmorpholin-4-yl)methyl]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 116631883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).