4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid

C24H24N4O6 — CID 121473203

IUPAC4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid
SMILESCCOC(=O)C1CN(c2ccc(-c3cnn(C(=O)O)c3)cc2)C(=O)N1Cc1cccc(OC)c1
InChIInChI=1S/C24H24N4O6/c1-3-34-22(29)21-15-26(23(30)27(21)13-16-5-4-6-20(11-16)33-2)19-9-7-17(8-10-19)18-12-25-28(14-18)24(31)32/h4-12,14,21H,3,13,15H2,1-2H3,(H,31,32)
InChIKeyFYQQQKHJOWGYIU-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.46
Rot. Bonds7

About 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid

4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid (PubChem CID 121473203) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid
PubChem CID121473203
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid
SMILESCCOC(=O)C1CN(c2ccc(-c3cnn(C(=O)O)c3)cc2)C(=O)N1Cc1cccc(OC)c1
InChIInChI=1S/C24H24N4O6/c1-3-34-22(29)21-15-26(23(30)27(21)13-16-5-4-6-20(11-16)33-2)19-9-7-17(8-10-19)18-12-25-28(14-18)24(31)32/h4-12,14,21H,3,13,15H2,1-2H3,(H,31,32)
InChIKeyFYQQQKHJOWGYIU-UHFFFAOYSA-N
XLogP3.46
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid?
The IUPAC name of 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid (CID 121473203) is 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid is CCOC(=O)C1CN(c2ccc(-c3cnn(C(=O)O)c3)cc2)C(=O)N1Cc1cccc(OC)c1.
What is the InChIKey of 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid?
The InChIKey is FYQQQKHJOWGYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-3-34-22(29)21-15-26(23(30)27(21)13-16-5-4-6-20(11-16)33-2)19-9-7-17(8-10-19)18-12-25-28(14-18)24(31)32/h4-12,14,21H,3,13,15H2,1-2H3,(H,31,32).
What are the key properties of 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid?
4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid has a molecular weight of 464.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-ethoxycarbonyl-3-[(3-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]phenyl]pyrazole-1-carboxylic acid is sourced from PubChem (CID 121473203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).