3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol

C20H16BrN3O2 — CID 134822375

IUPAC3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol
SMILESCCOc1ccccc1-c1c(O)c(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C20H16BrN3O2/c1-2-26-16-11-7-6-10-14(16)18-19(25)17(13-8-4-3-5-9-13)23-20-15(21)12-22-24(18)20/h3-12,25H,2H2,1H3
InChIKeyUZBNLZVVYUVQBH-UHFFFAOYSA-N
MW410.27 g/mol
LogP4.93
Rot. Bonds4

About 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol

3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol (PubChem CID 134822375) has the molecular formula C20H16BrN3O2 and a molecular weight of 410.27 g/mol. Its IUPAC name is 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol.

Molecular Properties

Compound Name3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol
PubChem CID134822375
Molecular FormulaC20H16BrN3O2
Molecular Weight410.27 g/mol
Exact Mass409.04
IUPAC Name3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol
SMILESCCOc1ccccc1-c1c(O)c(-c2ccccc2)nc2c(Br)cnn12
InChIInChI=1S/C20H16BrN3O2/c1-2-26-16-11-7-6-10-14(16)18-19(25)17(13-8-4-3-5-9-13)23-20-15(21)12-22-24(18)20/h3-12,25H,2H2,1H3
InChIKeyUZBNLZVVYUVQBH-UHFFFAOYSA-N
XLogP4.93
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.27
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol?
The IUPAC name of 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol (CID 134822375) is 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol.
What is the SMILES notation for 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol?
The canonical SMILES for 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol is CCOc1ccccc1-c1c(O)c(-c2ccccc2)nc2c(Br)cnn12.
What is the InChIKey of 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol?
The InChIKey is UZBNLZVVYUVQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2/c1-2-26-16-11-7-6-10-14(16)18-19(25)17(13-8-4-3-5-9-13)23-20-15(21)12-22-24(18)20/h3-12,25H,2H2,1H3.
What are the key properties of 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol?
3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol has a molecular weight of 410.27 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-6-ol is sourced from PubChem (CID 134822375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).