1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine

C12H8BrClN4 — CID 43542730

IUPAC1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cnn(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C12H8BrClN4/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3
InChIKeyJYOAZOBBWXPAOU-UHFFFAOYSA-N
MW323.58 g/mol
LogP3.54
Rot. Bonds1

About 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine

1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 43542730) has the molecular formula C12H8BrClN4 and a molecular weight of 323.58 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine
PubChem CID43542730
Molecular FormulaC12H8BrClN4
Molecular Weight323.58 g/mol
Exact Mass321.96
IUPAC Name1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine
SMILESCc1nc(Cl)c2cnn(-c3cccc(Br)c3)c2n1
InChIInChI=1S/C12H8BrClN4/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3
InChIKeyJYOAZOBBWXPAOU-UHFFFAOYSA-N
XLogP3.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine (CID 43542730) is 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine is Cc1nc(Cl)c2cnn(-c3cccc(Br)c3)c2n1.
What is the InChIKey of 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is JYOAZOBBWXPAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN4/c1-7-16-11(14)10-6-15-18(12(10)17-7)9-4-2-3-8(13)5-9/h2-6H,1H3.
What are the key properties of 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine?
1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 323.58 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-chloro-6-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 43542730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).