1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide

C15H11N5O — CID 5331024

IUPAC1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccccc2)c2c1ccc1nncc12
InChIInChI=1S/C15H11N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)
InChIKeySSPUZPXGPLNZKA-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.00
Rot. Bonds2

About 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide

1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide (PubChem CID 5331024) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide
PubChem CID5331024
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide
SMILESNC(=O)c1[nH]n(-c2ccccc2)c2c1ccc1nncc12
InChIInChI=1S/C15H11N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21)
InChIKeySSPUZPXGPLNZKA-UHFFFAOYSA-N
XLogP2.00
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide 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 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The IUPAC name of 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide (CID 5331024) is 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide.
What is the SMILES notation for 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The canonical SMILES for 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide is NC(=O)c1[nH]n(-c2ccccc2)c2c1ccc1nncc12.
What is the InChIKey of 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
The InChIKey is SSPUZPXGPLNZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-15(21)13-10-6-7-12-11(8-17-18-12)14(10)20(19-13)9-4-2-1-3-5-9/h1-8,19H,(H2,16,21).
What are the key properties of 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide?
1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2H-pyrazolo[3,4-e]indazole-3-carboxamide is sourced from PubChem (CID 5331024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).