3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide

C23H24N4O4 — CID 60537168

IUPAC3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1
InChIInChI=1S/C23H24N4O4/c1-2-10-24-23(29)16-6-3-7-17(13-16)25-15-22(28)27-19(21-9-5-12-31-21)14-18(26-27)20-8-4-11-30-20/h3-9,11-13,19,25H,2,10,14-15H2,1H3,(H,24,29)
InChIKeyHWSYEOXMGJWPLD-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.80
Rot. Bonds8

About 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide

3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 60537168) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID60537168
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1
InChIInChI=1S/C23H24N4O4/c1-2-10-24-23(29)16-6-3-7-17(13-16)25-15-22(28)27-19(21-9-5-12-31-21)14-18(26-27)20-8-4-11-30-20/h3-9,11-13,19,25H,2,10,14-15H2,1H3,(H,24,29)
InChIKeyHWSYEOXMGJWPLD-UHFFFAOYSA-N
XLogP3.80
TPSA100.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide with MolForge

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Related Compounds

1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
CID 35811357
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(N-methylanilino)ethanone
CID 47007073
N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 99798504
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
CID 60536920
[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791506
3-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 60537196
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone
CID 60537045
[2-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 42963756
1-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 42916769

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide (CID 60537168) is 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1.
What is the InChIKey of 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is HWSYEOXMGJWPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-2-10-24-23(29)16-6-3-7-17(13-16)25-15-22(28)27-19(21-9-5-12-31-21)14-18(26-27)20-8-4-11-30-20/h3-9,11-13,19,25H,2,10,14-15H2,1H3,(H,24,29).
What are the key properties of 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide?
3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 420.47 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 60537168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).