1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C20H24BrN5O2 — CID 90506368

IUPAC1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C20H24BrN5O2/c1-13-19(14(2)23-22-13)24-6-8-25(9-7-24)20(28)15-10-18(27)26(12-15)17-5-3-4-16(21)11-17/h3-5,11,15H,6-10,12H2,1-2H3,(H,22,23)
InChIKeyCDCAXLGADRQDQE-UHFFFAOYSA-N
MW446.35 g/mol
LogP2.49
Rot. Bonds3

About 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one

1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90506368) has the molecular formula C20H24BrN5O2 and a molecular weight of 446.35 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90506368
Molecular FormulaC20H24BrN5O2
Molecular Weight446.35 g/mol
Exact Mass445.11
IUPAC Name1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C20H24BrN5O2/c1-13-19(14(2)23-22-13)24-6-8-25(9-7-24)20(28)15-10-18(27)26(12-15)17-5-3-4-16(21)11-17/h3-5,11,15H,6-10,12H2,1-2H3,(H,22,23)
InChIKeyCDCAXLGADRQDQE-UHFFFAOYSA-N
XLogP2.49
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506600
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
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1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
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1-(3-bromophenyl)-4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
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(3-bromophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506422
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1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060175
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
1-(3-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 90506368) is 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1n[nH]c(C)c1N1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CDCAXLGADRQDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN5O2/c1-13-19(14(2)23-22-13)24-6-8-25(9-7-24)20(28)15-10-18(27)26(12-15)17-5-3-4-16(21)11-17/h3-5,11,15H,6-10,12H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 446.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90506368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).