4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate

C15H13N2O5- — CID 78468948

IUPAC4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C15H14N2O5/c18-14(5-6-15(19)20)17-11(13-4-2-8-22-13)9-10(16-17)12-3-1-7-21-12/h1-4,7-8,11H,5-6,9H2,(H,19,20)/p-1
InChIKeyVOSUHBRSMNYVQT-UHFFFAOYSA-M
MW301.28 g/mol
LogP1.08
Rot. Bonds5

About 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate

4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate (PubChem CID 78468948) has the molecular formula C15H13N2O5- and a molecular weight of 301.28 g/mol. Its IUPAC name is 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate.

Molecular Properties

Compound Name4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
PubChem CID78468948
Molecular FormulaC15H13N2O5-
Molecular Weight301.28 g/mol
Exact Mass301.08
IUPAC Name4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N1N=C(c2ccco2)CC1c1ccco1
InChIInChI=1S/C15H14N2O5/c18-14(5-6-15(19)20)17-11(13-4-2-8-22-13)9-10(16-17)12-3-1-7-21-12/h1-4,7-8,11H,5-6,9H2,(H,19,20)/p-1
InChIKeyVOSUHBRSMNYVQT-UHFFFAOYSA-M
XLogP1.08
TPSA99.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 3153482
4-[(3S)-3-(furan-2-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 6949623
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
4-[(3S)-3-(furan-2-yl)-5-[3-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-4-oxobutanoate
CID 7081161
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(3,5-difluoroanilino)ethanone
CID 35811357
4-[(3S)-5-(furan-2-yl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 97286795
1-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2,3-dihydroindol-1-yl)ethanone
CID 9299094
1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-(2-methylanilino)ethanone
CID 51109900
methyl 2-[[2-[(3S)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]acetate
CID 97204268
2-[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-nitroisoindole-1,3-dione
CID 46805546
2-[[2-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]amino]benzamide
CID 51252650

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate?
The IUPAC name of 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate (CID 78468948) is 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate.
What is the SMILES notation for 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate?
The canonical SMILES for 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate is O=C([O-])CCC(=O)N1N=C(c2ccco2)CC1c1ccco1.
What is the InChIKey of 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate?
The InChIKey is VOSUHBRSMNYVQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O5/c18-14(5-6-15(19)20)17-11(13-4-2-8-22-13)9-10(16-17)12-3-1-7-21-12/h1-4,7-8,11H,5-6,9H2,(H,19,20)/p-1.
What are the key properties of 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate?
4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate has a molecular weight of 301.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate is sourced from PubChem (CID 78468948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).