5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

C11H11N5O — CID 6886509

IUPAC5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccn2)n[nH]1
InChIInChI=1S/C11H11N5O/c1-8-6-10(15-14-8)11(17)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H,14,15)(H,16,17)/b13-7+
InChIKeyOZAXXYQPKSCBEZ-NTUHNPAUSA-N
MW229.24 g/mol
LogP0.88
Rot. Bonds3

About 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide

5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 6886509) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID6886509
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccccn2)n[nH]1
InChIInChI=1S/C11H11N5O/c1-8-6-10(15-14-8)11(17)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H,14,15)(H,16,17)/b13-7+
InChIKeyOZAXXYQPKSCBEZ-NTUHNPAUSA-N
XLogP0.88
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide (CID 6886509) is 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccccn2)n[nH]1.
What is the InChIKey of 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is OZAXXYQPKSCBEZ-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N5O/c1-8-6-10(15-14-8)11(17)16-13-7-9-4-2-3-5-12-9/h2-7H,1H3,(H,14,15)(H,16,17)/b13-7+.
What are the key properties of 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide?
5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(E)-pyridin-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6886509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).