4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile

C13H7BrClN5 — CID 162690134

IUPAC4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc(N)c3cc(Cl)nn3c2Br)cc1
InChIInChI=1S/C13H7BrClN5/c14-12-11(8-3-1-7(6-16)2-4-8)18-13(17)9-5-10(15)19-20(9)12/h1-5H,(H2,17,18)
InChIKeyBNARVNMQPQEDMN-UHFFFAOYSA-N
MW348.59 g/mol
LogP3.27
Rot. Bonds1

About 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile

4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile (PubChem CID 162690134) has the molecular formula C13H7BrClN5 and a molecular weight of 348.59 g/mol. Its IUPAC name is 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
PubChem CID162690134
Molecular FormulaC13H7BrClN5
Molecular Weight348.59 g/mol
Exact Mass346.96
IUPAC Name4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc(N)c3cc(Cl)nn3c2Br)cc1
InChIInChI=1S/C13H7BrClN5/c14-12-11(8-3-1-7(6-16)2-4-8)18-13(17)9-5-10(15)19-20(9)12/h1-5H,(H2,17,18)
InChIKeyBNARVNMQPQEDMN-UHFFFAOYSA-N
XLogP3.27
TPSA80.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The IUPAC name of 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile (CID 162690134) is 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile.
What is the SMILES notation for 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The canonical SMILES for 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile is N#Cc1ccc(-c2nc(N)c3cc(Cl)nn3c2Br)cc1.
What is the InChIKey of 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
The InChIKey is BNARVNMQPQEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN5/c14-12-11(8-3-1-7(6-16)2-4-8)18-13(17)9-5-10(15)19-20(9)12/h1-5H,(H2,17,18).
What are the key properties of 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile?
4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile has a molecular weight of 348.59 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-7-bromo-2-chloropyrazolo[1,5-a]pyrazin-6-yl)benzonitrile is sourced from PubChem (CID 162690134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).