3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

C8H8BrN3O2 — CID 137224852

IUPAC3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCc1cc(=O)[nH]c2c(Br)cnn12
InChIInChI=1S/C8H8BrN3O2/c1-14-4-5-2-7(13)11-8-6(9)3-10-12(5)8/h2-3H,4H2,1H3,(H,11,13)
InChIKeyUSDKTDIOSHLTIF-UHFFFAOYSA-N
MW258.07 g/mol
LogP0.93
Rot. Bonds2

About 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one

3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137224852) has the molecular formula C8H8BrN3O2 and a molecular weight of 258.07 g/mol. Its IUPAC name is 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137224852
Molecular FormulaC8H8BrN3O2
Molecular Weight258.07 g/mol
Exact Mass256.98
IUPAC Name3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCOCc1cc(=O)[nH]c2c(Br)cnn12
InChIInChI=1S/C8H8BrN3O2/c1-14-4-5-2-7(13)11-8-6(9)3-10-12(5)8/h2-3H,4H2,1H3,(H,11,13)
InChIKeyUSDKTDIOSHLTIF-UHFFFAOYSA-N
XLogP0.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224847
2-ethyl-7-(methoxymethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137004097
7-(methoxymethyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 137004160
7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 137004056
5-bromo-3-(methoxymethyl)-1H-pyridazin-6-one
CID 117104948
3-hydroxy-6-[5-(methoxymethyl)-1-methylpyrazol-4-yl]-1H-pyridin-2-one
CID 155009662
2,6-bis(methoxymethyl)-1-methylpyridin-4-one
CID 119089008
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774549
6-chloro-4-(methoxymethyl)-1H-pyridin-2-one
CID 123912022
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004252
3-chloro-7-[(2S,4R)-2-methylpiperidin-4-yl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 141489215

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137224852) is 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is COCc1cc(=O)[nH]c2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is USDKTDIOSHLTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2/c1-14-4-5-2-7(13)11-8-6(9)3-10-12(5)8/h2-3H,4H2,1H3,(H,11,13).
What are the key properties of 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one?
3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 258.07 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(methoxymethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137224852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).