methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate

C17H19N3O5 — CID 97204268

IUPACmethyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C17H19N3O5/c1-19(11-17(22)23-2)10-16(21)20-13(15-6-4-8-25-15)9-12(18-20)14-5-3-7-24-14/h3-8,13H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyHDPXDHBUUZIYEZ-ZDUSSCGKSA-N
MW345.36 g/mol
LogP1.66
Rot. Bonds6

About methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate (PubChem CID 97204268) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
PubChem CID97204268
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namemethyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
SMILESCOC(=O)CN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1
InChIInChI=1S/C17H19N3O5/c1-19(11-17(22)23-2)10-16(21)20-13(15-6-4-8-25-15)9-12(18-20)14-5-3-7-24-14/h3-8,13H,9-11H2,1-2H3/t13-/m0/s1
InChIKeyHDPXDHBUUZIYEZ-ZDUSSCGKSA-N
XLogP1.66
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate with MolForge

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Related Compounds

1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 39744017
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 47007073
methyl 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]benzoate
CID 86776534
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]ethanone
CID 39744906
1-[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[(5-chloro-1-methylimidazol-2-yl)methyl-methylamino]ethanone
CID 97260762
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
2-[[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 9050024
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
2-[[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 55387403
2-[benzyl(cyclopropyl)amino]-1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 55543703
2-[[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826679
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate (CID 97204268) is methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate is COC(=O)CN(C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1.
What is the InChIKey of methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate?
The InChIKey is HDPXDHBUUZIYEZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-19(11-17(22)23-2)10-16(21)20-13(15-6-4-8-25-15)9-12(18-20)14-5-3-7-24-14/h3-8,13H,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate has a molecular weight of 345.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 97204268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).