3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

C18H16N6O2 — CID 25172666

IUPAC3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1CN(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C18H16N6O2/c1-13-3-4-17(24(25)26)8-15(13)12-22(2)20-10-16-11-21-23-6-5-14(9-19)7-18(16)23/h3-8,10-11H,12H2,1-2H3/b20-10+
InChIKeyLVYPYQZOGVQVDW-KEBDBYFISA-N
MW348.37 g/mol
LogP2.89
Rot. Bonds5

About 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile

3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (PubChem CID 25172666) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
PubChem CID25172666
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile
SMILESCc1ccc([N+](=O)[O-])cc1CN(C)/N=C/c1cnn2ccc(C#N)cc12
InChIInChI=1S/C18H16N6O2/c1-13-3-4-17(24(25)26)8-15(13)12-22(2)20-10-16-11-21-23-6-5-14(9-19)7-18(16)23/h3-8,10-11H,12H2,1-2H3/b20-10+
InChIKeyLVYPYQZOGVQVDW-KEBDBYFISA-N
XLogP2.89
TPSA99.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The IUPAC name of 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile (CID 25172666) is 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile.
What is the SMILES notation for 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The canonical SMILES for 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is Cc1ccc([N+](=O)[O-])cc1CN(C)/N=C/c1cnn2ccc(C#N)cc12.
What is the InChIKey of 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
The InChIKey is LVYPYQZOGVQVDW-KEBDBYFISA-N. The full InChI is InChI=1S/C18H16N6O2/c1-13-3-4-17(24(25)26)8-15(13)12-22(2)20-10-16-11-21-23-6-5-14(9-19)7-18(16)23/h3-8,10-11H,12H2,1-2H3/b20-10+.
What are the key properties of 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile?
3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[methyl-[(2-methyl-5-nitrophenyl)methyl]hydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carbonitrile is sourced from PubChem (CID 25172666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).