2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C13H15N5O — CID 6889248

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccccn2)n1
InChIInChI=1S/C13H15N5O/c1-10-7-11(2)18(17-10)9-13(19)16-15-8-12-5-3-4-6-14-12/h3-8H,9H2,1-2H3,(H,16,19)/b15-8+
InChIKeyQSYOJJCJYBJQGC-OVCLIPMQSA-N
MW257.30 g/mol
LogP1.05
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 6889248) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID6889248
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCc1cc(C)n(CC(=O)N/N=C/c2ccccn2)n1
InChIInChI=1S/C13H15N5O/c1-10-7-11(2)18(17-10)9-13(19)16-15-8-12-5-3-4-6-14-12/h3-8H,9H2,1-2H3,(H,16,19)/b15-8+
InChIKeyQSYOJJCJYBJQGC-OVCLIPMQSA-N
XLogP1.05
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.05
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 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 6889248) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is Cc1cc(C)n(CC(=O)N/N=C/c2ccccn2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is QSYOJJCJYBJQGC-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15N5O/c1-10-7-11(2)18(17-10)9-13(19)16-15-8-12-5-3-4-6-14-12/h3-8H,9H2,1-2H3,(H,16,19)/b15-8+.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 257.30 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 6889248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).