1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide

C20H25BrN4O2 — CID 55843905

IUPAC1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CCN(c3cccc(Br)c3)C2=O)n1
InChIInChI=1S/C20H25BrN4O2/c1-13(12-25-15(3)9-14(2)23-25)11-22-19(26)18-7-8-24(20(18)27)17-6-4-5-16(21)10-17/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,22,26)
InChIKeyUAUORZAZLCOXRZ-UHFFFAOYSA-N
MW433.35 g/mol
LogP3.07
Rot. Bonds6

About 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide

1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide (PubChem CID 55843905) has the molecular formula C20H25BrN4O2 and a molecular weight of 433.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
PubChem CID55843905
Molecular FormulaC20H25BrN4O2
Molecular Weight433.35 g/mol
Exact Mass432.12
IUPAC Name1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)n(CC(C)CNC(=O)C2CCN(c3cccc(Br)c3)C2=O)n1
InChIInChI=1S/C20H25BrN4O2/c1-13(12-25-15(3)9-14(2)23-25)11-22-19(26)18-7-8-24(20(18)27)17-6-4-5-16(21)10-17/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,22,26)
InChIKeyUAUORZAZLCOXRZ-UHFFFAOYSA-N
XLogP3.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylpropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119996993
1-(3-bromophenyl)-N-[2-(methylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 119501260
1-(3-bromophenyl)-N-[2-(diethylamino)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 55883884
2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119349115
N-(3-aminopropyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide
CID 119406084
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55744996
1-(3-bromophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-oxopyrrolidine-3-carboxamide
CID 55830003
N-(2-amino-2-ethylbutyl)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119640980
(2R)-2-[[1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119364643
1-(4-bromophenyl)-N-(2-methylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 42853703
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
(3R)-1-(3-bromophenyl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-2-oxopyrrolidine-3-carboxamide
CID 99812133

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide (CID 55843905) is 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide is Cc1cc(C)n(CC(C)CNC(=O)C2CCN(c3cccc(Br)c3)C2=O)n1.
What is the InChIKey of 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide?
The InChIKey is UAUORZAZLCOXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN4O2/c1-13(12-25-15(3)9-14(2)23-25)11-22-19(26)18-7-8-24(20(18)27)17-6-4-5-16(21)10-17/h4-6,9-10,13,18H,7-8,11-12H2,1-3H3,(H,22,26).
What are the key properties of 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide?
1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide has a molecular weight of 433.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55843905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).