5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

C19H21N3O6S — CID 4559036

IUPAC5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H21N3O6S/c1-29(26,27)21-14-9-7-13(8-10-14)15-12-16(17-4-3-11-28-17)22(20-15)18(23)5-2-6-19(24)25/h3-4,7-11,16,21H,2,5-6,12H2,1H3,(H,24,25)
InChIKeyYSIUWJZMRIHHCZ-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.58
Rot. Bonds8

About 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (PubChem CID 4559036) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
PubChem CID4559036
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
SMILESCS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3ccco3)C2)cc1
InChIInChI=1S/C19H21N3O6S/c1-29(26,27)21-14-9-7-13(8-10-14)15-12-16(17-4-3-11-28-17)22(20-15)18(23)5-2-6-19(24)25/h3-4,7-11,16,21H,2,5-6,12H2,1H3,(H,24,25)
InChIKeyYSIUWJZMRIHHCZ-UHFFFAOYSA-N
XLogP2.58
TPSA129.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid (CID 4559036) is 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid is CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3ccco3)C2)cc1.
What is the InChIKey of 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
The InChIKey is YSIUWJZMRIHHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-29(26,27)21-14-9-7-13(8-10-14)15-12-16(17-4-3-11-28-17)22(20-15)18(23)5-2-6-19(24)25/h3-4,7-11,16,21H,2,5-6,12H2,1H3,(H,24,25).
What are the key properties of 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid?
5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid has a molecular weight of 419.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)-5-[4-(methanesulfonamido)phenyl]-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid is sourced from PubChem (CID 4559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).