1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide

C11H11N5O — CID 5412145

IUPAC1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C/c2ccncc2)n1
InChIInChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17)/b13-8+
InChIKeyGLWDVRWHOISKJK-MDWZMJQESA-N
MW229.24 g/mol
LogP0.58
Rot. Bonds3

About 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide

1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide (PubChem CID 5412145) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
PubChem CID5412145
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC Name1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N/N=C/c2ccncc2)n1
InChIInChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17)/b13-8+
InChIKeyGLWDVRWHOISKJK-MDWZMJQESA-N
XLogP0.58
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.58
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 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide (CID 5412145) is 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is Cn1ccc(C(=O)N/N=C/c2ccncc2)n1.
What is the InChIKey of 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide?
The InChIKey is GLWDVRWHOISKJK-MDWZMJQESA-N. The full InChI is InChI=1S/C11H11N5O/c1-16-7-4-10(15-16)11(17)14-13-8-9-2-5-12-6-3-9/h2-8H,1H3,(H,14,17)/b13-8+.
What are the key properties of 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide?
1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 5412145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).