3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C19H19N5O — CID 6874623

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyVEDZRRLGAXESGV-CIAFOILYSA-N
MW333.40 g/mol
LogP2.71
Rot. Bonds5

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 6874623) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID6874623
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1
InChIInChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+
InChIKeyVEDZRRLGAXESGV-CIAFOILYSA-N
XLogP2.71
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 6874623) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccnc3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is VEDZRRLGAXESGV-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-9-15(2)24(23-14)13-16-5-3-7-18(10-16)19(25)22-21-12-17-6-4-8-20-11-17/h3-12H,13H2,1-2H3,(H,22,25)/b21-12+.
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 333.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 6874623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).