ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate

C17H20BrN3O3 — CID 110170346

IUPACethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc(-c2ccc(Br)cc2)c1N1CCOCC1
InChIInChI=1S/C17H20BrN3O3/c1-2-24-16(22)12-21-17(20-7-9-23-10-8-20)15(11-19-21)13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyDGQSHCAHHMQGFH-UHFFFAOYSA-N
MW394.27 g/mol
LogP2.71
Rot. Bonds5

About ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate

ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate (PubChem CID 110170346) has the molecular formula C17H20BrN3O3 and a molecular weight of 394.27 g/mol. Its IUPAC name is ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate
PubChem CID110170346
Molecular FormulaC17H20BrN3O3
Molecular Weight394.27 g/mol
Exact Mass393.07
IUPAC Nameethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ncc(-c2ccc(Br)cc2)c1N1CCOCC1
InChIInChI=1S/C17H20BrN3O3/c1-2-24-16(22)12-21-17(20-7-9-23-10-8-20)15(11-19-21)13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3
InChIKeyDGQSHCAHHMQGFH-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[4-(4-bromophenyl)-1-methyl-3-morpholin-4-ylpyrrol-2-yl]propanoate
CID 110167805
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
ethyl 3-bromo-1-methyl-5-morpholin-4-ylpyrazole-4-carboxylate
CID 118690377
ethyl 2-[3-(4-bromophenyl)-5-(3-chlorophenyl)pyrazol-1-yl]acetate
CID 90451225
ethyl 2-[3-bromo-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-5-oxo-1,2,4-triazol-4-yl]acetate
CID 156847432
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
1-ethyl-5-morpholin-4-ylpyrazol-4-amine
CID 145428294
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
methyl 2-(4-bromophenyl)-4-morpholin-4-yl-1H-imidazole-5-carboxylate
CID 10690235
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
4-[3-(4-bromophenyl)-5-methylthiophen-2-yl]morpholine
CID 11450586

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate (CID 110170346) is ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate is CCOC(=O)Cn1ncc(-c2ccc(Br)cc2)c1N1CCOCC1.
What is the InChIKey of ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate?
The InChIKey is DGQSHCAHHMQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O3/c1-2-24-16(22)12-21-17(20-7-9-23-10-8-20)15(11-19-21)13-3-5-14(18)6-4-13/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate?
ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate has a molecular weight of 394.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(4-bromophenyl)-5-morpholin-4-ylpyrazol-1-yl]acetate is sourced from PubChem (CID 110170346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).