5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C15H15BrN4O — CID 135399685

IUPAC5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C15H15BrN4O/c1-3-4-11-12-13(20(2)19-11)15(21)18-14(17-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyBIYFXVNDNLHWKJ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.04
Rot. Bonds3

About 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135399685) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135399685
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C15H15BrN4O/c1-3-4-11-12-13(20(2)19-11)15(21)18-14(17-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyBIYFXVNDNLHWKJ-UHFFFAOYSA-N
XLogP3.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135399685) is 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BIYFXVNDNLHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-3-4-11-12-13(20(2)19-11)15(21)18-14(17-12)9-5-7-10(16)8-6-9/h5-8H,3-4H2,1-2H3,(H,17,18,21).
What are the key properties of 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 347.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-methyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135399685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).