5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde

C15H12N4O2 — CID 70449223

IUPAC5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
SMILESNc1ccncc1-c1[nH]n(-c2ccccc2)c(=O)c1C=O
InChIInChI=1S/C15H12N4O2/c16-13-6-7-17-8-11(13)14-12(9-20)15(21)19(18-14)10-4-2-1-3-5-10/h1-9,18H,(H2,16,17)
InChIKeyWQQBYKYFAVTHTB-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.62
Rot. Bonds3

About 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde

5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde (PubChem CID 70449223) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
PubChem CID70449223
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde
SMILESNc1ccncc1-c1[nH]n(-c2ccccc2)c(=O)c1C=O
InChIInChI=1S/C15H12N4O2/c16-13-6-7-17-8-11(13)14-12(9-20)15(21)19(18-14)10-4-2-1-3-5-10/h1-9,18H,(H2,16,17)
InChIKeyWQQBYKYFAVTHTB-UHFFFAOYSA-N
XLogP1.62
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde (CID 70449223) is 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde is Nc1ccncc1-c1[nH]n(-c2ccccc2)c(=O)c1C=O.
What is the InChIKey of 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde?
The InChIKey is WQQBYKYFAVTHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-13-6-7-17-8-11(13)14-12(9-20)15(21)19(18-14)10-4-2-1-3-5-10/h1-9,18H,(H2,16,17).
What are the key properties of 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde?
5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde has a molecular weight of 280.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-pyridinyl)-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 70449223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).