ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate

C23H24N4O4 — CID 121479524

IUPACethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc(OC)c2)C(=O)N1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C23H24N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21H,3,14-15H2,1-2H3,(H,24,25)
InChIKeyRCPLGAPSWVOJNE-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.46
Rot. Bonds7

About ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate

ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate (PubChem CID 121479524) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
PubChem CID121479524
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Nameethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate
SMILESCCOC(=O)C1CN(Cc2cccc(OC)c2)C(=O)N1c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C23H24N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21H,3,14-15H2,1-2H3,(H,24,25)
InChIKeyRCPLGAPSWVOJNE-UHFFFAOYSA-N
XLogP3.46
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The IUPAC name of ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate (CID 121479524) is ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate is CCOC(=O)C1CN(Cc2cccc(OC)c2)C(=O)N1c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
The InChIKey is RCPLGAPSWVOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-31-22(28)21-15-26(14-16-5-4-6-20(11-16)30-2)23(29)27(21)19-9-7-17(8-10-19)18-12-24-25-13-18/h4-13,21H,3,14-15H2,1-2H3,(H,24,25).
What are the key properties of ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate?
ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-methoxyphenyl)methyl]-2-oxo-3-[4-(1H-pyrazol-4-yl)phenyl]imidazolidine-4-carboxylate is sourced from PubChem (CID 121479524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).