[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate

C21H19N3O5S2 — CID 55375366

IUPAC[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccsc1)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C21H19N3O5S2/c25-19(12-29-20(26)5-7-22-21(27)14-6-10-30-13-14)24-16(17-3-1-8-28-17)11-15(23-24)18-4-2-9-31-18/h1-4,6,8-10,13,16H,5,7,11-12H2,(H,22,27)
InChIKeyWITRZCIMBPKWFL-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.44
Rot. Bonds8

About [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate

[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate (PubChem CID 55375366) has the molecular formula C21H19N3O5S2 and a molecular weight of 457.53 g/mol. Its IUPAC name is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
PubChem CID55375366
Molecular FormulaC21H19N3O5S2
Molecular Weight457.53 g/mol
Exact Mass457.08
IUPAC Name[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate
SMILESO=C(CCNC(=O)c1ccsc1)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1
InChIInChI=1S/C21H19N3O5S2/c25-19(12-29-20(26)5-7-22-21(27)14-6-10-30-13-14)24-16(17-3-1-8-28-17)11-15(23-24)18-4-2-9-31-18/h1-4,6,8-10,13,16H,5,7,11-12H2,(H,22,27)
InChIKeyWITRZCIMBPKWFL-UHFFFAOYSA-N
XLogP3.44
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-1-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 7128484
[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-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 42984105
[2-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)-2-oxoethyl] 3-(furan-2-yl)propanoate
CID 55322872
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 16508982
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-quinolin-8-ylacetate
CID 55488798
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 16524466
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 16513239
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 167748812
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 55317113
2-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]-N-phenylbenzamide
CID 24594965
N-[1-[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 46677581

Frequently Asked Questions

What is the IUPAC name of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The IUPAC name of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate (CID 55375366) is [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate.
What is the SMILES notation for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The canonical SMILES for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate is O=C(CCNC(=O)c1ccsc1)OCC(=O)N1N=C(c2cccs2)CC1c1ccco1.
What is the InChIKey of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
The InChIKey is WITRZCIMBPKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S2/c25-19(12-29-20(26)5-7-22-21(27)14-6-10-30-13-14)24-16(17-3-1-8-28-17)11-15(23-24)18-4-2-9-31-18/h1-4,6,8-10,13,16H,5,7,11-12H2,(H,22,27).
What are the key properties of [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate?
[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate has a molecular weight of 457.53 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate is sourced from PubChem (CID 55375366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).