3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H7BrN4O — CID 137146618

IUPAC3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Br)nn2C1CC1
InChIInChI=1S/C8H7BrN4O/c9-6-5-7(10-3-11-8(5)14)13(12-6)4-1-2-4/h3-4H,1-2H2,(H,10,11,14)
InChIKeyXOUUNWWGGVOSFV-UHFFFAOYSA-N
MW255.07 g/mol
LogP1.22
Rot. Bonds1

About 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137146618) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137146618
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1c(Br)nn2C1CC1
InChIInChI=1S/C8H7BrN4O/c9-6-5-7(10-3-11-8(5)14)13(12-6)4-1-2-4/h3-4H,1-2H2,(H,10,11,14)
InChIKeyXOUUNWWGGVOSFV-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137146618) is 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1c(Br)nn2C1CC1.
What is the InChIKey of 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XOUUNWWGGVOSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-6-5-7(10-3-11-8(5)14)13(12-6)4-1-2-4/h3-4H,1-2H2,(H,10,11,14).
What are the key properties of 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 255.07 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-cyclopropyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137146618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).