ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate

C11H16BrN3O3 — CID 118690377

IUPACethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(Br)nn(C)c1N1CCOCC1
InChIInChI=1S/C11H16BrN3O3/c1-3-18-11(16)8-9(12)13-14(2)10(8)15-4-6-17-7-5-15/h3-7H2,1-2H3
InChIKeyHAEIOFJIBFLIRU-UHFFFAOYSA-N
MW318.17 g/mol
LogP1.20
Rot. Bonds3

About ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate

ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate (PubChem CID 118690377) has the molecular formula C11H16BrN3O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
PubChem CID118690377
Molecular FormulaC11H16BrN3O3
Molecular Weight318.17 g/mol
Exact Mass317.04
IUPAC Nameethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(Br)nn(C)c1N1CCOCC1
InChIInChI=1S/C11H16BrN3O3/c1-3-18-11(16)8-9(12)13-14(2)10(8)15-4-6-17-7-5-15/h3-7H2,1-2H3
InChIKeyHAEIOFJIBFLIRU-UHFFFAOYSA-N
XLogP1.20
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 5-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-bromo-1-methylpyrazole-4-carboxylate
CID 140700864
ethyl 5-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
CID 169093505
methyl 2-amino-3-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)propanoate
CID 170883513
ethyl 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135372990
ethyl 3-bromo-5-(difluoromethyl)-1-(oxan-4-yl)pyrazole-4-carboxylate
CID 129248324
ethyl 4-methyl-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carboxylate
CID 168654698
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
ethyl 2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)benzoate
CID 86699744
ethyl 3-bromo-7-morpholin-4-ylthieno[3,2-b]pyridine-6-carboxylate
CID 163397208
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
ethyl 2-acetyl-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 134461219

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate (CID 118690377) is ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate is CCOC(=O)c1c(Br)nn(C)c1N1CCOCC1.
What is the InChIKey of ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate?
The InChIKey is HAEIOFJIBFLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O3/c1-3-18-11(16)8-9(12)13-14(2)10(8)15-4-6-17-7-5-15/h3-7H2,1-2H3.
What are the key properties of ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate?
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate has a molecular weight of 318.17 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate is sourced from PubChem (CID 118690377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).