(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone

C15H18BrN5O — CID 90506372

IUPAC(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C15H18BrN5O/c1-10-14(11(2)19-18-10)20-3-5-21(6-4-20)15(22)12-7-13(16)9-17-8-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyXLKWUDMLWBJQKD-UHFFFAOYSA-N
MW364.25 g/mol
LogP2.15
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone

(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone (PubChem CID 90506372) has the molecular formula C15H18BrN5O and a molecular weight of 364.25 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
PubChem CID90506372
Molecular FormulaC15H18BrN5O
Molecular Weight364.25 g/mol
Exact Mass363.07
IUPAC Name(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)c2cncc(Br)c2)CC1
InChIInChI=1S/C15H18BrN5O/c1-10-14(11(2)19-18-10)20-3-5-21(6-4-20)15(22)12-7-13(16)9-17-8-12/h7-9H,3-6H2,1-2H3,(H,18,19)
InChIKeyXLKWUDMLWBJQKD-UHFFFAOYSA-N
XLogP2.15
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506422
(3,4-difluorophenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506426
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 56764533
(4-tert-butylphenyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506399
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]methanone
CID 67381229
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801
(5-bromo-3-pyridinyl)-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122345408
(5-bromo-3-pyridinyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53007094
(5-bromo-3-pyridinyl)-[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 122333753
(5-bromo-3-pyridinyl)-[4-[4-(ethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]methanone
CID 122346104
(5-bromo-3-pyridinyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63873857
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 106839194

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone (CID 90506372) is (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone is Cc1n[nH]c(C)c1N1CCN(C(=O)c2cncc(Br)c2)CC1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
The InChIKey is XLKWUDMLWBJQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN5O/c1-10-14(11(2)19-18-10)20-3-5-21(6-4-20)15(22)12-7-13(16)9-17-8-12/h7-9H,3-6H2,1-2H3,(H,18,19).
What are the key properties of (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone has a molecular weight of 364.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 90506372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).