lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate

C19H18N8O6Pb — CID 139162818

IUPAClead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1ccc(-c2ccn(CCCn3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C19H18N6.2NO3.Pb/c1-3-10-20-16(6-1)18-8-14-24(22-18)12-5-13-25-15-9-19(23-25)17-7-2-4-11-21-17;2*2-1(3)4;/h1-4,6-11,14-15H,5,12-13H2;;;/q;2*-1;+2
InChIKeyZARWIFMJCHZJRT-UHFFFAOYSA-N
MW661.60 g/mol
LogP2.43
Rot. Bonds6

About lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate

lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate (PubChem CID 139162818) has the molecular formula C19H18N8O6Pb and a molecular weight of 661.60 g/mol. Its IUPAC name is lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate.

Molecular Properties

Compound Namelead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate
PubChem CID139162818
Molecular FormulaC19H18N8O6Pb
Molecular Weight661.60 g/mol
Exact Mass662.11
IUPAC Namelead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1ccc(-c2ccn(CCCn3ccc(-c4ccccn4)n3)n2)nc1
InChIInChI=1S/C19H18N6.2NO3.Pb/c1-3-10-20-16(6-1)18-8-14-24(22-18)12-5-13-25-15-9-19(23-25)17-7-2-4-11-21-17;2*2-1(3)4;/h1-4,6-11,14-15H,5,12-13H2;;;/q;2*-1;+2
InChIKeyZARWIFMJCHZJRT-UHFFFAOYSA-N
XLogP2.43
TPSA193.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.60
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-Methylpyrazol-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137644314
2-Pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 53391873
2-[5-(5-pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine
CID 340685
2-[2-[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethyl]pyridine
CID 56781090
2-(1-Methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
CID 118739969
2,6-bis[(1H-pyrazol-1-yl)methyl]pyridine
CID 12975814
2-Pyridin-2-ylpyrazolo[1,5-a]pyridine
CID 23469394
Tris(3-pyridin-2-ylpyrazol-1-yl)borane
CID 70902506
CID 70902535
CID 70902535
3-methyl-2-(3-{1-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazol-3-yl}phenyl)pyridine
CID 29021911
N-[(1-methylpyrazol-4-yl)methyl]-1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 75425344
3-Methylpyrazol-1-ide;platinum(2+);2-pyridin-2-ylpyridine;3-(trifluoromethyl)pyrazol-1-ide
CID 58711210

Frequently Asked Questions

What is the IUPAC name of lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate?
The IUPAC name of lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate (CID 139162818) is lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate.
What is the SMILES notation for lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate?
The canonical SMILES for lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].c1ccc(-c2ccn(CCCn3ccc(-c4ccccn4)n3)n2)nc1.
What is the InChIKey of lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate?
The InChIKey is ZARWIFMJCHZJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6.2NO3.Pb/c1-3-10-20-16(6-1)18-8-14-24(22-18)12-5-13-25-15-9-19(23-25)17-7-2-4-11-21-17;2*2-1(3)4;/h1-4,6-11,14-15H,5,12-13H2;;;/q;2*-1;+2.
What are the key properties of lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate?
lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate has a molecular weight of 661.60 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for lead(2+);2-[1-[3-(3-pyridin-2-ylpyrazol-1-yl)propyl]pyrazol-3-yl]pyridine;dinitrate is sourced from PubChem (CID 139162818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).