5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C19H15BrN4O — CID 3109204

IUPAC5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O/c1-2-17-22-18-16(12-21-24(18)15-6-4-3-5-7-15)19(25)23(17)14-10-8-13(20)9-11-14/h3-12H,2H2,1H3
InChIKeyCPEQTWIKJJQGJQ-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.90
Rot. Bonds3

About 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3109204) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3109204
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O/c1-2-17-22-18-16(12-21-24(18)15-6-4-3-5-7-15)19(25)23(17)14-10-8-13(20)9-11-14/h3-12H,2H2,1H3
InChIKeyCPEQTWIKJJQGJQ-UHFFFAOYSA-N
XLogP3.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 3109204) is 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CPEQTWIKJJQGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c1-2-17-22-18-16(12-21-24(18)15-6-4-3-5-7-15)19(25)23(17)14-10-8-13(20)9-11-14/h3-12H,2H2,1H3.
What are the key properties of 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 395.26 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-ethyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3109204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).