4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one

C23H20N2O4 — CID 57183797

IUPAC4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one
SMILESCC(=O)CC(c1ccco1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H20N2O4/c1-16(26)15-19(20-13-8-14-29-20)21-22(27)24(17-9-4-2-5-10-17)25(23(21)28)18-11-6-3-7-12-18/h2-14,19,27H,15H2,1H3
InChIKeyCJIVSHQFJIBXRL-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.04
Rot. Bonds6

About 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one

4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one (PubChem CID 57183797) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one.

Molecular Properties

Compound Name4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one
PubChem CID57183797
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one
SMILESCC(=O)CC(c1ccco1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H20N2O4/c1-16(26)15-19(20-13-8-14-29-20)21-22(27)24(17-9-4-2-5-10-17)25(23(21)28)18-11-6-3-7-12-18/h2-14,19,27H,15H2,1H3
InChIKeyCJIVSHQFJIBXRL-UHFFFAOYSA-N
XLogP4.04
TPSA77.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-hydroxy-5-oxo-1,2-diphenylpyrazol-4-yl)-4-oxopentanoic acid
CID 57182733
3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54689800
sodium 3-[1-(furan-2-yl)-3-oxobutyl]-4-hydroxychromen-2-one
CID 54718456
4-(furan-2-yl)-4-(2-methoxyphenyl)butan-2-one
CID 169488876
4-chloro-4-(furan-2-yl)butan-2-one
CID 70536237
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid
CID 743102
methyl (2R,3R)-3-(furan-2-yl)-5-oxo-2-phenylhexanoate
CID 638410
4-(furan-2-yl)-4-prop-2-enylsulfanylbutan-2-one
CID 25186820
(4R)-4-(2-chloro-6-hydroxyphenyl)-4-phenylbutan-2-one
CID 122398641
2-(furan-2-yl)propanedioic acid
CID 19790856
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
(3S)-3-(furan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 904780

Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one?
The IUPAC name of 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one (CID 57183797) is 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one.
What is the SMILES notation for 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one?
The canonical SMILES for 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one is CC(=O)CC(c1ccco1)c1c(O)n(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one?
The InChIKey is CJIVSHQFJIBXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16(26)15-19(20-13-8-14-29-20)21-22(27)24(17-9-4-2-5-10-17)25(23(21)28)18-11-6-3-7-12-18/h2-14,19,27H,15H2,1H3.
What are the key properties of 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one?
4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one has a molecular weight of 388.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-yl)-3-oxobutyl]-5-hydroxy-1,2-diphenylpyrazol-3-one is sourced from PubChem (CID 57183797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).