1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine

C12H11N5 — CID 67112738

IUPAC1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine
SMILESNc1ccc(-n2ncc3cc(N)ncc32)cc1
InChIInChI=1S/C12H11N5/c13-9-1-3-10(4-2-9)17-11-7-15-12(14)5-8(11)6-16-17/h1-7H,13H2,(H2,14,15)
InChIKeyVZTMIOWGKRZSQE-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.58
Rot. Bonds1

About 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine

1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine (PubChem CID 67112738) has the molecular formula C12H11N5 and a molecular weight of 225.26 g/mol. Its IUPAC name is 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine.

Molecular Properties

Compound Name1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine
PubChem CID67112738
Molecular FormulaC12H11N5
Molecular Weight225.26 g/mol
Exact Mass225.10
IUPAC Name1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine
SMILESNc1ccc(-n2ncc3cc(N)ncc32)cc1
InChIInChI=1S/C12H11N5/c13-9-1-3-10(4-2-9)17-11-7-15-12(14)5-8(11)6-16-17/h1-7H,13H2,(H2,14,15)
InChIKeyVZTMIOWGKRZSQE-UHFFFAOYSA-N
XLogP1.58
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine?
The IUPAC name of 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine (CID 67112738) is 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine.
What is the SMILES notation for 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine?
The canonical SMILES for 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine is Nc1ccc(-n2ncc3cc(N)ncc32)cc1.
What is the InChIKey of 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine?
The InChIKey is VZTMIOWGKRZSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-9-1-3-10(4-2-9)17-11-7-15-12(14)5-8(11)6-16-17/h1-7H,13H2,(H2,14,15).
What are the key properties of 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine?
1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)pyrazolo[3,4-c]pyridin-5-amine is sourced from PubChem (CID 67112738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).