1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide

C28H25N5O4 — CID 55961871

IUPAC1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1
InChIInChI=1S/C28H25N5O4/c1-28(26(35)30-27(36)31-28)20-9-6-10-21(15-20)29-25(34)23-17-33(16-18-7-4-3-5-8-18)32-24(23)19-11-13-22(37-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,29,34)(H2,30,31,35,36)
InChIKeyYILVXFODOBKSRI-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.91
Rot. Bonds7

About 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide

1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide (PubChem CID 55961871) has the molecular formula C28H25N5O4 and a molecular weight of 495.54 g/mol. Its IUPAC name is 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
PubChem CID55961871
Molecular FormulaC28H25N5O4
Molecular Weight495.54 g/mol
Exact Mass495.19
IUPAC Name1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1
InChIInChI=1S/C28H25N5O4/c1-28(26(35)30-27(36)31-28)20-9-6-10-21(15-20)29-25(34)23-17-33(16-18-7-4-3-5-8-18)32-24(23)19-11-13-22(37-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,29,34)(H2,30,31,35,36)
InChIKeyYILVXFODOBKSRI-UHFFFAOYSA-N
XLogP3.91
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
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CID 55532778
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
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1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
4-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55723008
1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
CID 55617368

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide (CID 55961871) is 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(C3(C)NC(=O)NC3=O)c2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide?
The InChIKey is YILVXFODOBKSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O4/c1-28(26(35)30-27(36)31-28)20-9-6-10-21(15-20)29-25(34)23-17-33(16-18-7-4-3-5-8-18)32-24(23)19-11-13-22(37-2)14-12-19/h3-15,17H,16H2,1-2H3,(H,29,34)(H2,30,31,35,36).
What are the key properties of 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide?
1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide has a molecular weight of 495.54 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55961871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).