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

C20H18N4O4 — CID 51252650

IUPAC2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C20H18N4O4/c21-20(26)13-5-1-2-6-14(13)22-12-19(25)24-16(18-8-4-10-28-18)11-15(23-24)17-7-3-9-27-17/h1-10,16,22H,11-12H2,(H2,21,26)
InChIKeySTLASZHLTHEPGL-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.76
Rot. Bonds6

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

2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (PubChem CID 51252650) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
PubChem CID51252650
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESNC(=O)c1ccccc1NCC(=O)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C20H18N4O4/c21-20(26)13-5-1-2-6-14(13)22-12-19(25)24-16(18-8-4-10-28-18)11-15(23-24)17-7-3-9-27-17/h1-10,16,22H,11-12H2,(H2,21,26)
InChIKeySTLASZHLTHEPGL-UHFFFAOYSA-N
XLogP2.76
TPSA114.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 46700578
2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
CID 51173888
N-[2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]phenyl]-4-chlorobenzamide
CID 55897315
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-methyl-3-nitroanilino)ethanone
CID 51183167
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3-methylanilino)ethanone
CID 78792990
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
CID 60536920
5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 60587810
N-[5-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-2-fluorophenyl]-2-phenylacetamide
CID 55919017
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 78468948

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (CID 51252650) is 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is NC(=O)c1ccccc1NCC(=O)N1N=C(c2ccco2)CC1c1ccco1.
What is the InChIKey of 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The InChIKey is STLASZHLTHEPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-20(26)13-5-1-2-6-14(13)22-12-19(25)24-16(18-8-4-10-28-18)11-15(23-24)17-7-3-9-27-17/h1-10,16,22H,11-12H2,(H2,21,26).
What are the key properties of 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide has a molecular weight of 378.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 51252650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).