5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile

C12H13N5 — CID 54951839

IUPAC5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
SMILESN#Cc1cc(N)ccc1NCCn1cccn1
InChIInChI=1S/C12H13N5/c13-9-10-8-11(14)2-3-12(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,14H2
InChIKeyHCRRLRKCNYBWBG-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.45
Rot. Bonds4

About 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile

5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile (PubChem CID 54951839) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile.

Molecular Properties

Compound Name5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
PubChem CID54951839
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile
SMILESN#Cc1cc(N)ccc1NCCn1cccn1
InChIInChI=1S/C12H13N5/c13-9-10-8-11(14)2-3-12(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,14H2
InChIKeyHCRRLRKCNYBWBG-UHFFFAOYSA-N
XLogP1.45
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile 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-amino-3-(2-pyrazol-1-ylethylamino)benzonitrile
CID 113444705
5-amino-2-(2-pyrazol-1-ylethylamino)pyridine-3-carbonitrile
CID 54951788
3-amino-2-(2-pyrazol-1-ylethylamino)pyridine-4-carbonitrile
CID 82817533
5-amino-2-(2-hydroxyethylamino)benzonitrile
CID 15827829
2-chloro-4-(2-pyrazol-1-ylethylamino)benzonitrile
CID 61491902
5-amino-2-(2,2,2-trifluoroethylamino)benzonitrile
CID 61295779
5-amino-2-(2,2-dimethylpropylamino)benzonitrile
CID 61296921
4-amino-3-(3-pyrazol-1-ylpropylamino)benzonitrile
CID 104712294
5-amino-2-(2-methylsulfanylethylamino)benzonitrile
CID 63983327
2-[2-(4-aminopyrazol-1-yl)ethylamino]-5-(trifluoromethyl)benzonitrile
CID 115320026
5-amino-2-(2-phenoxyethylamino)benzonitrile
CID 55013137
4-amino-3-(2-pyrazol-1-ylethylamino)benzamide
CID 63356229

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile?
The IUPAC name of 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile (CID 54951839) is 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile.
What is the SMILES notation for 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile?
The canonical SMILES for 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile is N#Cc1cc(N)ccc1NCCn1cccn1.
What is the InChIKey of 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile?
The InChIKey is HCRRLRKCNYBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c13-9-10-8-11(14)2-3-12(10)15-5-7-17-6-1-4-16-17/h1-4,6,8,15H,5,7,14H2.
What are the key properties of 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile?
5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile has a molecular weight of 227.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-pyrazol-1-ylethylamino)benzonitrile is sourced from PubChem (CID 54951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).