ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate

C13H22N4O3 — CID 135372990

IUPACethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(CCN2CCOCC2)c1N
InChIInChI=1S/C13H22N4O3/c1-3-20-13(18)11-10(2)15-17(12(11)14)5-4-16-6-8-19-9-7-16/h3-9,14H2,1-2H3
InChIKeyYPNNSIJYDYVRJF-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.28
Rot. Bonds5

About ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate

ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate (PubChem CID 135372990) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
PubChem CID135372990
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Nameethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(CCN2CCOCC2)c1N
InChIInChI=1S/C13H22N4O3/c1-3-20-13(18)11-10(2)15-17(12(11)14)5-4-16-6-8-19-9-7-16/h3-9,14H2,1-2H3
InChIKeyYPNNSIJYDYVRJF-UHFFFAOYSA-N
XLogP0.28
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;ethyl 5-amino-1-ethyl-3-methylpyrazole-4-carboxylate
CID 143211364
ethyl 5-methyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105071
ethyl 1-(2-morpholin-4-ylethyl)-5-propyltriazole-4-carboxylate
CID 103106195
ethyl 3-methyl-5-(3-morpholin-4-ylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371215
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 118690377
methyl 5-ethyl-1-(2-morpholin-4-ylethyl)triazole-4-carboxylate
CID 103105920
ethyl 5-methyl-3-(3-morpholin-4-ylpropylamino)-1H-pyrazole-4-carboxylate
CID 14500734
ethyl 3,5-dimethyl-1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrazole-4-carboxylate
CID 139414238
ethyl acetate;4-propylmorpholine
CID 160534633
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropyl)-1,5,7-trimethyl-4-oxophthalazine-6-carboxylate
CID 15075899
ethyl 5-amino-1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-ethylpyrazole-4-carboxylate
CID 135371071
ethyl 1-(3-morpholin-4-ylpropyl)imidazole-2-carboxylate
CID 56760030

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate (CID 135372990) is ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(CCN2CCOCC2)c1N.
What is the InChIKey of ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate?
The InChIKey is YPNNSIJYDYVRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-3-20-13(18)11-10(2)15-17(12(11)14)5-4-16-6-8-19-9-7-16/h3-9,14H2,1-2H3.
What are the key properties of ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate?
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 135372990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).