(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

C15H19BrN6O — CID 51390538

IUPAC(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1c(Br)cnn1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H19BrN6O/c1-11-13(16)10-19-22(11)12(2)14(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m1/s1
InChIKeyOGKZAYFSUPULJF-GFCCVEGCSA-N
MW379.26 g/mol
LogP1.65
Rot. Bonds3

About (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 51390538) has the molecular formula C15H19BrN6O and a molecular weight of 379.26 g/mol. Its IUPAC name is (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID51390538
Molecular FormulaC15H19BrN6O
Molecular Weight379.26 g/mol
Exact Mass378.08
IUPAC Name(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
SMILESCc1c(Br)cnn1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H19BrN6O/c1-11-13(16)10-19-22(11)12(2)14(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m1/s1
InChIKeyOGKZAYFSUPULJF-GFCCVEGCSA-N
XLogP1.65
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 35524476
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
2-(4-bromo-5-methylpyrazol-1-yl)-1-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]propan-1-one
CID 19536674
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 146090777
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107
(2S)-3-methyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95137914
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one (CID 51390538) is (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is Cc1c(Br)cnn1[C@H](C)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is OGKZAYFSUPULJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19BrN6O/c1-11-13(16)10-19-22(11)12(2)14(23)20-6-8-21(9-7-20)15-17-4-3-5-18-15/h3-5,10,12H,6-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one?
(2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 379.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromo-5-methylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 51390538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).