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

C23H22N4O4 — CID 46700578

IUPAC2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(C2=NN(C(=O)CNc3ccccc3C(N)=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H22N4O4/c1-30-16-10-8-15(9-11-16)19-13-20(21-7-4-12-31-21)27(26-19)22(28)14-25-18-6-3-2-5-17(18)23(24)29/h2-12,20,25H,13-14H2,1H3,(H2,24,29)
InChIKeyBDBJAJCROVIHRA-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.18
Rot. Bonds7

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

2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (PubChem CID 46700578) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
PubChem CID46700578
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(C2=NN(C(=O)CNc3ccccc3C(N)=O)C(c3ccco3)C2)cc1
InChIInChI=1S/C23H22N4O4/c1-30-16-10-8-15(9-11-16)19-13-20(21-7-4-12-31-21)27(26-19)22(28)14-25-18-6-3-2-5-17(18)23(24)29/h2-12,20,25H,13-14H2,1H3,(H2,24,29)
InChIKeyBDBJAJCROVIHRA-UHFFFAOYSA-N
XLogP3.18
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide with MolForge

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Related Compounds

2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650
2-(tert-butylamino)-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 39894420
2-(5-fluoro-2-methylanilino)-1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 9099787
5-chloro-2-[[2-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 60587810
4-[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethoxy]benzamide
CID 7931449
1-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methoxyphenoxy)ethanone
CID 7865713
4-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 6949623
3-[[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]-N,N-dimethylbenzenesulfonamide
CID 41236436
1-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 8896354
2-fluoro-N-[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-N-methylbenzamide
CID 83273963
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
[2-[(3R)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] cyclopentanecarboxylate
CID 8020191

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The IUPAC name of 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide (CID 46700578) is 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is COc1ccc(C2=NN(C(=O)CNc3ccccc3C(N)=O)C(c3ccco3)C2)cc1.
What is the InChIKey of 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
The InChIKey is BDBJAJCROVIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-16-10-8-15(9-11-16)19-13-20(21-7-4-12-31-21)27(26-19)22(28)14-25-18-6-3-2-5-17(18)23(24)29/h2-12,20,25H,13-14H2,1H3,(H2,24,29).
What are the key properties of 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide?
2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide has a molecular weight of 418.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 46700578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).