(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine

C16H13N3O — CID 5341356

IUPAC(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3O/c20-17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-12,20H/b17-11+
InChIKeyRPVYGTLXZZVPHJ-GZTJUZNOSA-N
MW263.30 g/mol
LogP3.35
Rot. Bonds3

About (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine

(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine (PubChem CID 5341356) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine
PubChem CID5341356
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine
SMILESO/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C16H13N3O/c20-17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-12,20H/b17-11+
InChIKeyRPVYGTLXZZVPHJ-GZTJUZNOSA-N
XLogP3.35
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.35
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-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine (CID 5341356) is (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine is O/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine?
The InChIKey is RPVYGTLXZZVPHJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13N3O/c20-17-11-14-12-19(15-9-5-2-6-10-15)18-16(14)13-7-3-1-4-8-13/h1-12,20H/b17-11+.
What are the key properties of (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine?
(NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine has a molecular weight of 263.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(1,3-diphenylpyrazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 5341356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).