1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

C20H23BrN4O2 — CID 55583267

IUPAC1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccnn3C3CCCC3)CC2=O)ccc1Br
InChIInChI=1S/C20H23BrN4O2/c1-13-10-16(6-7-17(13)21)24-12-14(11-19(24)26)20(27)23-18-8-9-22-25(18)15-4-2-3-5-15/h6-10,14-15H,2-5,11-12H2,1H3,(H,23,27)
InChIKeyMFJOOCNSDHPOOC-UHFFFAOYSA-N
MW431.33 g/mol
LogP4.06
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide

1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55583267) has the molecular formula C20H23BrN4O2 and a molecular weight of 431.33 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55583267
Molecular FormulaC20H23BrN4O2
Molecular Weight431.33 g/mol
Exact Mass430.10
IUPAC Name1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(N2CC(C(=O)Nc3ccnn3C3CCCC3)CC2=O)ccc1Br
InChIInChI=1S/C20H23BrN4O2/c1-13-10-16(6-7-17(13)21)24-12-14(11-19(24)26)20(27)23-18-8-9-22-25(18)15-4-2-3-5-15/h6-10,14-15H,2-5,11-12H2,1H3,(H,23,27)
InChIKeyMFJOOCNSDHPOOC-UHFFFAOYSA-N
XLogP4.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-chlorophenyl)-N-(2-cyclohexylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 51935544
(3S)-1-(4-bromo-3-methylphenyl)-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25348649
1-(4-bromo-3-methylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55578133
(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
ethyl N-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamate
CID 46581535
(3R)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51595159
(3R)-N-(4-bromo-3-methylphenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 8572465
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
1-(4-bromo-3-methylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119388409
1-(4-bromo-3-methylphenyl)-N'-(furan-2-carbonyl)-5-oxopyrrolidine-3-carbohydrazide
CID 42952579
1-(1,3-benzodioxol-5-yl)-N-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108803770
1-(4-bromo-3-methylphenyl)-5-oxo-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 55673120

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide (CID 55583267) is 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(N2CC(C(=O)Nc3ccnn3C3CCCC3)CC2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MFJOOCNSDHPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O2/c1-13-10-16(6-7-17(13)21)24-12-14(11-19(24)26)20(27)23-18-8-9-22-25(18)15-4-2-3-5-15/h6-10,14-15H,2-5,11-12H2,1H3,(H,23,27).
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 431.33 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-(2-cyclopentylpyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55583267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).