(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine

C11H11N3O — CID 6175488

IUPAC(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine
SMILESO/N=C(/Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H11N3O/c15-13-11(9-14-8-4-7-12-14)10-5-2-1-3-6-10/h1-8,15H,9H2/b13-11-
InChIKeyJCFGIQDGEVEYRN-QBFSEMIESA-N
MW201.23 g/mol
LogP1.76
Rot. Bonds3

About (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine

(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine (PubChem CID 6175488) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine
PubChem CID6175488
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine
SMILESO/N=C(/Cn1cccn1)c1ccccc1
InChIInChI=1S/C11H11N3O/c15-13-11(9-14-8-4-7-12-14)10-5-2-1-3-6-10/h1-8,15H,9H2/b13-11-
InChIKeyJCFGIQDGEVEYRN-QBFSEMIESA-N
XLogP1.76
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine (CID 6175488) is (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine is O/N=C(/Cn1cccn1)c1ccccc1.
What is the InChIKey of (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine?
The InChIKey is JCFGIQDGEVEYRN-QBFSEMIESA-N. The full InChI is InChI=1S/C11H11N3O/c15-13-11(9-14-8-4-7-12-14)10-5-2-1-3-6-10/h1-8,15H,9H2/b13-11-.
What are the key properties of (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine?
(NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine has a molecular weight of 201.23 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1-phenyl-2-pyrazol-1-ylethylidene)hydroxylamine is sourced from PubChem (CID 6175488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).