2-(3-amino-4-bromopyrazol-1-yl)benzonitrile

C10H7BrN4 — CID 61177381

IUPAC2-(3-amino-4-bromopyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(Br)c(N)n1
InChIInChI=1S/C10H7BrN4/c11-8-6-15(14-10(8)13)9-4-2-1-3-7(9)5-12/h1-4,6H,(H2,13,14)
InChIKeyUUTASUAGIBUTPS-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.09
Rot. Bonds1

About 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile

2-(3-amino-4-bromopyrazol-1-yl)benzonitrile (PubChem CID 61177381) has the molecular formula C10H7BrN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(3-amino-4-bromopyrazol-1-yl)benzonitrile
PubChem CID61177381
Molecular FormulaC10H7BrN4
Molecular Weight263.10 g/mol
Exact Mass261.99
IUPAC Name2-(3-amino-4-bromopyrazol-1-yl)benzonitrile
SMILESN#Cc1ccccc1-n1cc(Br)c(N)n1
InChIInChI=1S/C10H7BrN4/c11-8-6-15(14-10(8)13)9-4-2-1-3-7(9)5-12/h1-4,6H,(H2,13,14)
InChIKeyUUTASUAGIBUTPS-UHFFFAOYSA-N
XLogP2.09
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile?
The IUPAC name of 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile (CID 61177381) is 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile.
What is the SMILES notation for 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile?
The canonical SMILES for 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile is N#Cc1ccccc1-n1cc(Br)c(N)n1.
What is the InChIKey of 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile?
The InChIKey is UUTASUAGIBUTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4/c11-8-6-15(14-10(8)13)9-4-2-1-3-7(9)5-12/h1-4,6H,(H2,13,14).
What are the key properties of 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile?
2-(3-amino-4-bromopyrazol-1-yl)benzonitrile has a molecular weight of 263.10 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-bromopyrazol-1-yl)benzonitrile is sourced from PubChem (CID 61177381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).