5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C8H7BrN4O — CID 66317192

IUPAC5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2ncc(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H7BrN4O/c1-13-3-2-6(12-13)7-10-4-5(9)8(14)11-7/h2-4H,1H3,(H,10,11,14)
InChIKeyBMONSMWLIWSNQZ-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.93
Rot. Bonds1

About 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 66317192) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID66317192
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCn1ccc(-c2ncc(Br)c(=O)[nH]2)n1
InChIInChI=1S/C8H7BrN4O/c1-13-3-2-6(12-13)7-10-4-5(9)8(14)11-7/h2-4H,1H3,(H,10,11,14)
InChIKeyBMONSMWLIWSNQZ-UHFFFAOYSA-N
XLogP0.93
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-5-[(2-methylpyrazol-3-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437838
4-Bromo-5-[(1-methylpyrazol-3-yl)methylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114440947
5-fluoro-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 136228775
5-fluoro-4-methyl-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005312
2-(2-ethylpyrazol-3-yl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 137005360
5-fluoro-4-methyl-2-(2-propylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005361
2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 65195065
4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 65195182
5-bromo-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 66287162
3-(3-methylpyrazol-1-yl)-1H-pyrazin-2-one
CID 68866721
1-[4-Amino-2-(2-methylpyrazol-3-yl)-4,5-dihydroimidazol-1-yl]ethanone
CID 70595465
7-Bromo-3-(3-methylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 118617100

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 66317192) is 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is Cn1ccc(-c2ncc(Br)c(=O)[nH]2)n1.
What is the InChIKey of 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is BMONSMWLIWSNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-13-3-2-6(12-13)7-10-4-5(9)8(14)11-7/h2-4H,1H3,(H,10,11,14).
What are the key properties of 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 255.07 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 66317192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).