5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

C9H9BrN4O — CID 82875940

IUPAC5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCn1ccc(Cn2cncc(Br)c2=O)n1
InChIInChI=1S/C9H9BrN4O/c1-13-3-2-7(12-13)5-14-6-11-4-8(10)9(14)15/h2-4,6H,5H2,1H3
InChIKeyBUEJCBZDJNIXOD-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.79
Rot. Bonds2

About 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one

5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 82875940) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
PubChem CID82875940
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESCn1ccc(Cn2cncc(Br)c2=O)n1
InChIInChI=1S/C9H9BrN4O/c1-13-3-2-7(12-13)5-14-6-11-4-8(10)9(14)15/h2-4,6H,5H2,1H3
InChIKeyBUEJCBZDJNIXOD-UHFFFAOYSA-N
XLogP0.79
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 66310631
3-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 114761326
(1R)-1-[3-[(1-methylpyrazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104943545
5-iodo-6-methyl-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 82876264
5-bromo-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114530992
3-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyridin-2-one
CID 82882780
5-bromo-3-[(5-chloro-1-methylimidazol-2-yl)methyl]pyrimidin-4-one
CID 66309579
5-bromo-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-3-carboxylic acid
CID 82869902
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
3-[(3-amino-2-fluorophenyl)methyl]-5-bromopyrimidin-4-one
CID 107347719
5-bromo-3-pent-3-ynylpyrimidin-4-one
CID 104745910
5-bromo-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one (CID 82875940) is 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is Cn1ccc(Cn2cncc(Br)c2=O)n1.
What is the InChIKey of 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is BUEJCBZDJNIXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-13-3-2-7(12-13)5-14-6-11-4-8(10)9(14)15/h2-4,6H,5H2,1H3.
What are the key properties of 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one?
5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 269.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 82875940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).