4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol

C11H11N3O2 — CID 137261940

IUPAC4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(/C=N/O)ccc1O
InChIInChI=1S/C11H11N3O2/c1-14-10(4-5-12-14)9-6-8(7-13-16)2-3-11(9)15/h2-7,15-16H,1H3/b13-7+
InChIKeyLSMAEPZWGQVQNC-NTUHNPAUSA-N
MW217.23 g/mol
LogP1.60
Rot. Bonds2

About 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol

4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol (PubChem CID 137261940) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol
PubChem CID137261940
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol
SMILESCn1nccc1-c1cc(/C=N/O)ccc1O
InChIInChI=1S/C11H11N3O2/c1-14-10(4-5-12-14)9-6-8(7-13-16)2-3-11(9)15/h2-7,15-16H,1H3/b13-7+
InChIKeyLSMAEPZWGQVQNC-NTUHNPAUSA-N
XLogP1.60
TPSA70.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol?
The IUPAC name of 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol (CID 137261940) is 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol.
What is the SMILES notation for 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol?
The canonical SMILES for 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol is Cn1nccc1-c1cc(/C=N/O)ccc1O.
What is the InChIKey of 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol?
The InChIKey is LSMAEPZWGQVQNC-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-10(4-5-12-14)9-6-8(7-13-16)2-3-11(9)15/h2-7,15-16H,1H3/b13-7+.
What are the key properties of 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol?
4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol has a molecular weight of 217.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-hydroxyiminomethyl]-2-(2-methylpyrazol-3-yl)phenol is sourced from PubChem (CID 137261940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).