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

C10H9N5 — CID 13134103

IUPAC5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2N)c1N
InChIInChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-4-2-1-3-8(9)12/h1-4,6H,12-13H2
InChIKeyMEIWOGPEWDAUKA-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.91
Rot. Bonds1

About 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile

5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile (PubChem CID 13134103) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile
PubChem CID13134103
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2N)c1N
InChIInChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-4-2-1-3-8(9)12/h1-4,6H,12-13H2
InChIKeyMEIWOGPEWDAUKA-UHFFFAOYSA-N
XLogP0.91
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile (CID 13134103) is 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2N)c1N.
What is the InChIKey of 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile?
The InChIKey is MEIWOGPEWDAUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c11-5-7-6-14-15(10(7)13)9-4-2-1-3-8(9)12/h1-4,6H,12-13H2.
What are the key properties of 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile?
5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile has a molecular weight of 199.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-aminophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 13134103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).