[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone

C22H23BrClN5O — CID 46441717

IUPAC[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23BrClN5O/c1-15(2)21-19(14-26-29(21)18-6-4-17(24)5-7-18)22(30)28-11-9-27(10-12-28)20-8-3-16(23)13-25-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHVHCXVDRDZIRLM-UHFFFAOYSA-N
MW488.82 g/mol
LogP4.77
Rot. Bonds4

About [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone

[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone (PubChem CID 46441717) has the molecular formula C22H23BrClN5O and a molecular weight of 488.82 g/mol. Its IUPAC name is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
PubChem CID46441717
Molecular FormulaC22H23BrClN5O
Molecular Weight488.82 g/mol
Exact Mass487.08
IUPAC Name[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
SMILESCC(C)c1c(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C22H23BrClN5O/c1-15(2)21-19(14-26-29(21)18-6-4-17(24)5-7-18)22(30)28-11-9-27(10-12-28)20-8-3-16(23)13-25-20/h3-8,13-15H,9-12H2,1-2H3
InChIKeyHVHCXVDRDZIRLM-UHFFFAOYSA-N
XLogP4.77
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.82
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 43058846
N-[1-[1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidin-4-yl]benzamide
CID 46576774
2-amino-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 60945383
(2-aminophenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 119946518
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 54871341
(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 56564765
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110885879
(5-amino-2-methylphenyl)-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methanone;dihydrochloride
CID 120641996
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 46577742
4-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720927
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
CID 38615630

Frequently Asked Questions

What is the IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The IUPAC name of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone (CID 46441717) is [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The canonical SMILES for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone is CC(C)c1c(C(=O)N2CCN(c3ccc(Br)cn3)CC2)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
The InChIKey is HVHCXVDRDZIRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClN5O/c1-15(2)21-19(14-26-29(21)18-6-4-17(24)5-7-18)22(30)28-11-9-27(10-12-28)20-8-3-16(23)13-25-20/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone?
[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone has a molecular weight of 488.82 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-bromo-2-pyridinyl)piperazin-1-yl]-[1-(4-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 46441717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).