N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide

C24H24N4O4 — CID 56559254

IUPACN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3C(=O)CCC3=O)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-19-10-8-17(9-11-19)21-16-20(26-28(21)18-6-3-2-4-7-18)24(31)25-14-5-15-27-22(29)12-13-23(27)30/h2-4,6-11,16H,5,12-15H2,1H3,(H,25,31)
InChIKeyVPTLSWXPQOHBDB-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.82
Rot. Bonds8

About N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide

N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 56559254) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
PubChem CID56559254
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCN3C(=O)CCC3=O)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H24N4O4/c1-32-19-10-8-17(9-11-19)21-16-20(26-28(21)18-6-3-2-4-7-18)24(31)25-14-5-15-27-22(29)12-13-23(27)30/h2-4,6-11,16H,5,12-15H2,1H3,(H,25,31)
InChIKeyVPTLSWXPQOHBDB-UHFFFAOYSA-N
XLogP2.82
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
5-(4-methoxyphenyl)-1-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-3-carboxamide
CID 55775417
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371
N-[(4-methoxyphenyl)methyl]-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53002283
N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 60509217
5-(4-methoxyphenyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 155947371
N'-(2-chlorobenzoyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbohydrazide
CID 55765038
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
1-ethyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 46104554
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide (CID 56559254) is N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)NCCCN3C(=O)CCC3=O)nn2-c2ccccc2)cc1.
What is the InChIKey of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is VPTLSWXPQOHBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-32-19-10-8-17(9-11-19)21-16-20(26-28(21)18-6-3-2-4-7-18)24(31)25-14-5-15-27-22(29)12-13-23(27)30/h2-4,6-11,16H,5,12-15H2,1H3,(H,25,31).
What are the key properties of N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide?
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 56559254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).