ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate

C20H25N3O5S — CID 47825233

IUPACethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C20H25N3O5S/c1-3-27-20(25)14-22(8-10-26-2)13-19(24)23-16(17-6-4-9-28-17)12-15(21-23)18-7-5-11-29-18/h4-7,9,11,16H,3,8,10,12-14H2,1-2H3
InChIKeyNKAXZMYXUNAFBY-UHFFFAOYSA-N
MW419.50 g/mol
LogP2.53
Rot. Bonds10

About ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate

ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate (PubChem CID 47825233) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
PubChem CID47825233
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Nameethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C20H25N3O5S/c1-3-27-20(25)14-22(8-10-26-2)13-19(24)23-16(17-6-4-9-28-17)12-15(21-23)18-7-5-11-29-18/h4-7,9,11,16H,3,8,10,12-14H2,1-2H3
InChIKeyNKAXZMYXUNAFBY-UHFFFAOYSA-N
XLogP2.53
TPSA84.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2,2-dimethoxyethyl(3-hydroxypropyl)amino]-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 97262566
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[methyl(2-phenoxyethyl)amino]ethanone
CID 55354658
N-[2-[(3S)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylcyclopropanecarboxamide
CID 93129270
2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826679
2-[cyclopropyl(3-methylbutyl)amino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 55568706
N-(2-methoxyethyl)-N-[2-[3-(3-methylthiophen-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 83287701
N-(2-methoxyethyl)-N-[2-[(3R)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 93129615
N-(2-methoxyethyl)-N-[2-[(3S)-3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]propanamide
CID 93129614
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 55315409
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(3,5-dimethylpyrazol-1-yl)acetate
CID 55449611
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 16557791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate (CID 47825233) is ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
The InChIKey is NKAXZMYXUNAFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-3-27-20(25)14-22(8-10-26-2)13-19(24)23-16(17-6-4-9-28-17)12-15(21-23)18-7-5-11-29-18/h4-7,9,11,16H,3,8,10,12-14H2,1-2H3.
What are the key properties of ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate?
ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate has a molecular weight of 419.50 g/mol, XLogP of 2.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 47825233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).