1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

C24H23ClN4O3 — CID 46579031

IUPAC1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O3/c1-15(2)23-20(13-26-29(23)19-9-5-17(25)6-10-19)24(32)27-18-7-3-16(4-8-18)14-28-21(30)11-12-22(28)31/h3-10,13,15H,11-12,14H2,1-2H3,(H,27,32)
InChIKeyWLROAQHONVALRR-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.55
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 46579031) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID46579031
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O3/c1-15(2)23-20(13-26-29(23)19-9-5-17(25)6-10-19)24(32)27-18-7-3-16(4-8-18)14-28-21(30)11-12-22(28)31/h3-10,13,15H,11-12,14H2,1-2H3,(H,27,32)
InChIKeyWLROAQHONVALRR-UHFFFAOYSA-N
XLogP4.55
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
ethyl 1-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38044668
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
1-(4-chlorophenyl)-N-[[4-(dimethylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46578034
N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 37081472
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 46579031) is 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is WLROAQHONVALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-15(2)23-20(13-26-29(23)19-9-5-17(25)6-10-19)24(32)27-18-7-3-16(4-8-18)14-28-21(30)11-12-22(28)31/h3-10,13,15H,11-12,14H2,1-2H3,(H,27,32).
What are the key properties of 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 450.93 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46579031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).