3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C8H9BrN4O — CID 52862909

IUPAC3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(Br)nn2C)c1=O
InChIInChI=1S/C8H9BrN4O/c1-3-13-4-10-7-5(8(13)14)6(9)11-12(7)2/h4H,3H2,1-2H3
InChIKeyQVMBXRIEPZOLRV-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.91
Rot. Bonds1

About 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one

3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 52862909) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID52862909
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c(Br)nn2C)c1=O
InChIInChI=1S/C8H9BrN4O/c1-3-13-4-10-7-5(8(13)14)6(9)11-12(7)2/h4H,3H2,1-2H3
InChIKeyQVMBXRIEPZOLRV-UHFFFAOYSA-N
XLogP0.91
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5,6-Trimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335483
2-{3-bromo-1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetic acid
CID 50989010
3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135523800
1,6-Dimethyl-5-propyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335484
6-Ethyl-1,5-dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 337071
Uwykksvmgfched-uhfffaoysa-
CID 15563728
Kyenlpvzgmzynd-uhfffaoysa-
CID 15563729
2-(3-bromo-1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethyl-N-(3,3,3-trifluoropropyl)acetamide
CID 56425398
2-(3-bromo-1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-butyl-N-(2,2,2-trifluoroethyl)acetamide
CID 60224074
3-Bromo-1-methyl-5-(3,3,3-trifluoropropyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 60238266
5-Ethyl-1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-one
CID 5324531
3-Bromo-6,7-dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 22401689

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 52862909) is 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CCn1cnc2c(c(Br)nn2C)c1=O.
What is the InChIKey of 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QVMBXRIEPZOLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-3-13-4-10-7-5(8(13)14)6(9)11-12(7)2/h4H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 257.09 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 52862909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).