N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

C16H17N7O2 — CID 162649396

IUPACN-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=[N+]([O-])c1ccccc1Nc1cc(N2CCNCC2)nc2ccnn12
InChIInChI=1S/C16H17N7O2/c24-23(25)13-4-2-1-3-12(13)19-16-11-15(21-9-7-17-8-10-21)20-14-5-6-18-22(14)16/h1-6,11,17,19H,7-10H2
InChIKeyNVTRFTNYSREHBG-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.79
Rot. Bonds4

About N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 162649396) has the molecular formula C16H17N7O2 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID162649396
Molecular FormulaC16H17N7O2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC NameN-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESO=[N+]([O-])c1ccccc1Nc1cc(N2CCNCC2)nc2ccnn12
InChIInChI=1S/C16H17N7O2/c24-23(25)13-4-2-1-3-12(13)19-16-11-15(21-9-7-17-8-10-21)20-14-5-6-18-22(14)16/h1-6,11,17,19H,7-10H2
InChIKeyNVTRFTNYSREHBG-UHFFFAOYSA-N
XLogP1.79
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine 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 N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 162649396) is N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is O=[N+]([O-])c1ccccc1Nc1cc(N2CCNCC2)nc2ccnn12.
What is the InChIKey of N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NVTRFTNYSREHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2/c24-23(25)13-4-2-1-3-12(13)19-16-11-15(21-9-7-17-8-10-21)20-14-5-6-18-22(14)16/h1-6,11,17,19H,7-10H2.
What are the key properties of N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 339.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 162649396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).