(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine

C15H12N4O — CID 5337380

IUPAC(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C15H12N4O/c20-17-10-13-11-19(14-6-2-1-3-7-14)18-15(13)12-5-4-8-16-9-12/h1-11,20H/b17-10+
InChIKeyGGZFYSSQFBVNDT-LICLKQGHSA-N
MW264.29 g/mol
LogP2.74
Rot. Bonds3

About (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 5337380) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID5337380
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C15H12N4O/c20-17-10-13-11-19(14-6-2-1-3-7-14)18-15(13)12-5-4-8-16-9-12/h1-11,20H/b17-10+
InChIKeyGGZFYSSQFBVNDT-LICLKQGHSA-N
XLogP2.74
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine 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 (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine (CID 5337380) is (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine is O/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is GGZFYSSQFBVNDT-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N4O/c20-17-10-13-11-19(14-6-2-1-3-7-14)18-15(13)12-5-4-8-16-9-12/h1-11,20H/b17-10+.
What are the key properties of (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 264.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5337380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).