1-(2-aminophenyl)pyrazole-4-carbonitrile

C10H8N4 — CID 84769361

IUPAC1-(2-aminophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C10H8N4/c11-5-8-6-13-14(7-8)10-4-2-1-3-9(10)12/h1-4,6-7H,12H2
InChIKeyUBYAFJRXSONCAJ-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.33
Rot. Bonds1

About 1-(2-aminophenyl)pyrazole-4-carbonitrile

1-(2-aminophenyl)pyrazole-4-carbonitrile (PubChem CID 84769361) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-(2-aminophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(2-aminophenyl)pyrazole-4-carbonitrile
PubChem CID84769361
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name1-(2-aminophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2N)c1
InChIInChI=1S/C10H8N4/c11-5-8-6-13-14(7-8)10-4-2-1-3-9(10)12/h1-4,6-7H,12H2
InChIKeyUBYAFJRXSONCAJ-UHFFFAOYSA-N
XLogP1.33
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(2-aminophenyl)pyrazole-4-carbonitrile (CID 84769361) is 1-(2-aminophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(2-aminophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(2-aminophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2N)c1.
What is the InChIKey of 1-(2-aminophenyl)pyrazole-4-carbonitrile?
The InChIKey is UBYAFJRXSONCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c11-5-8-6-13-14(7-8)10-4-2-1-3-9(10)12/h1-4,6-7H,12H2.
What are the key properties of 1-(2-aminophenyl)pyrazole-4-carbonitrile?
1-(2-aminophenyl)pyrazole-4-carbonitrile has a molecular weight of 184.20 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 84769361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).