1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine

C11H6BrClN4 — CID 11392731

IUPAC1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2-c1ccc(Br)cc1
InChIInChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
InChIKeyUZYNDGAOOONELP-UHFFFAOYSA-N
MW309.55 g/mol
LogP3.23
Rot. Bonds1

About 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine

1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine (PubChem CID 11392731) has the molecular formula C11H6BrClN4 and a molecular weight of 309.55 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine
PubChem CID11392731
Molecular FormulaC11H6BrClN4
Molecular Weight309.55 g/mol
Exact Mass307.95
IUPAC Name1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine
SMILESClc1ncnc2c1cnn2-c1ccc(Br)cc1
InChIInChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H
InChIKeyUZYNDGAOOONELP-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine (CID 11392731) is 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine is Clc1ncnc2c1cnn2-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine?
The InChIKey is UZYNDGAOOONELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN4/c12-7-1-3-8(4-2-7)17-11-9(5-16-17)10(13)14-6-15-11/h1-6H.
What are the key properties of 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine?
1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine has a molecular weight of 309.55 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-chloropyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 11392731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).