(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine

C7H7N3O — CID 137263424

IUPAC(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
SMILESC#CCO/N=C/c1ccn[nH]1
InChIInChI=1S/C7H7N3O/c1-2-5-11-9-6-7-3-4-8-10-7/h1,3-4,6H,5H2,(H,8,10)/b9-6+
InChIKeyLLVOYLGJZVIDDG-RMKNXTFCSA-N
MW149.15 g/mol
LogP0.39
Rot. Bonds3

About (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine

(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine (PubChem CID 137263424) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine.

Molecular Properties

Compound Name(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
PubChem CID137263424
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine
SMILESC#CCO/N=C/c1ccn[nH]1
InChIInChI=1S/C7H7N3O/c1-2-5-11-9-6-7-3-4-8-10-7/h1,3-4,6H,5H2,(H,8,10)/b9-6+
InChIKeyLLVOYLGJZVIDDG-RMKNXTFCSA-N
XLogP0.39
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine?
The IUPAC name of (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine (CID 137263424) is (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine.
What is the SMILES notation for (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine?
The canonical SMILES for (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine is C#CCO/N=C/c1ccn[nH]1.
What is the InChIKey of (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine?
The InChIKey is LLVOYLGJZVIDDG-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-5-11-9-6-7-3-4-8-10-7/h1,3-4,6H,5H2,(H,8,10)/b9-6+.
What are the key properties of (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine?
(E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine has a molecular weight of 149.15 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-2-ynoxy-1-(1H-pyrazol-5-yl)methanimine is sourced from PubChem (CID 137263424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).