2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile

C10H7BrN4 — CID 114895156

IUPAC2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1-n1cc(N)cn1
InChIInChI=1S/C10H7BrN4/c11-8-1-2-10(7(3-8)4-12)15-6-9(13)5-14-15/h1-3,5-6H,13H2
InChIKeyQKWUTBRMDFXKNN-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.09
Rot. Bonds1

About 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile

2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile (PubChem CID 114895156) has the molecular formula C10H7BrN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile
PubChem CID114895156
Molecular FormulaC10H7BrN4
Molecular Weight263.10 g/mol
Exact Mass261.99
IUPAC Name2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile
SMILESN#Cc1cc(Br)ccc1-n1cc(N)cn1
InChIInChI=1S/C10H7BrN4/c11-8-1-2-10(7(3-8)4-12)15-6-9(13)5-14-15/h1-3,5-6H,13H2
InChIKeyQKWUTBRMDFXKNN-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

Analyze 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-aminophenyl)pyrazol-1-yl]-5-bromobenzonitrile
CID 114895168
1-(5-bromo-2-cyanophenyl)pyrazole-4-carboxylic acid
CID 114907014
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774
5-bromo-2-(2,5-dimethylpyrrol-1-yl)benzonitrile
CID 82708807
5-bromo-2-(2,5-dioxopyrrol-1-yl)benzonitrile
CID 82708719
2-(6-azaspiro[2.5]octan-6-yl)-5-bromobenzonitrile
CID 167530689
5-bromo-2-(1-methylpyrazol-4-yl)oxybenzonitrile
CID 114891101
1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide
CID 65342368
5-bromo-2-(4,4-difluoropiperidin-1-yl)benzonitrile
CID 86811090
4-(4-bromopyrazol-1-yl)-3-fluoroaniline;hydrochloride
CID 90482951
5-bromo-2-(1-propan-2-ylpyrazol-4-yl)oxybenzonitrile
CID 114891103
4-(4-bromopyrazol-1-yl)-3-nitrobenzonitrile
CID 54910621

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile (CID 114895156) is 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile is N#Cc1cc(Br)ccc1-n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile?
The InChIKey is QKWUTBRMDFXKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4/c11-8-1-2-10(7(3-8)4-12)15-6-9(13)5-14-15/h1-3,5-6H,13H2.
What are the key properties of 2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile?
2-(4-aminopyrazol-1-yl)-5-bromobenzonitrile 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-(4-aminopyrazol-1-yl)-5-bromobenzonitrile is sourced from PubChem (CID 114895156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).