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

C26H28BrN5O2 — CID 90506600

IUPAC1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C26H28BrN5O2/c1-18-25(19(2)32(28-18)22-8-4-3-5-9-22)29-11-13-30(14-12-29)26(34)20-15-24(33)31(17-20)23-10-6-7-21(27)16-23/h3-10,16,20H,11-15,17H2,1-2H3
InChIKeyFSFORTNFKYDOMO-UHFFFAOYSA-N
MW522.45 g/mol
LogP3.95
Rot. Bonds4

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

1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90506600) has the molecular formula C26H28BrN5O2 and a molecular weight of 522.45 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90506600
Molecular FormulaC26H28BrN5O2
Molecular Weight522.45 g/mol
Exact Mass521.14
IUPAC Name1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESCc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)C2CC(=O)N(c3cccc(Br)c3)C2)CC1
InChIInChI=1S/C26H28BrN5O2/c1-18-25(19(2)32(28-18)22-8-4-3-5-9-22)29-11-13-30(14-12-29)26(34)20-15-24(33)31(17-20)23-10-6-7-21(27)16-23/h3-10,16,20H,11-15,17H2,1-2H3
InChIKeyFSFORTNFKYDOMO-UHFFFAOYSA-N
XLogP3.95
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90506720
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90506368
1-(3-bromophenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46587894
1-(3-bromophenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122336448
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616
1-(3-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851698
1-(3-bromophenyl)-4-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122332847
1-(3-bromophenyl)-4-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122351764
1-(3-bromophenyl)-4-(4-cyclopentylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 55575787
1-(2,6-dimethylphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113186228
1-(3-bromophenyl)-4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71780411
1-(3-bromophenyl)-4-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-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-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 90506600) is 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is Cc1nn(-c2ccccc2)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-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FSFORTNFKYDOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN5O2/c1-18-25(19(2)32(28-18)22-8-4-3-5-9-22)29-11-13-30(14-12-29)26(34)20-15-24(33)31(17-20)23-10-6-7-21(27)16-23/h3-10,16,20H,11-15,17H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 522.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90506600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).