[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone

C16H18N4O3 — CID 658220

IUPAC[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N4O3/c1-19-15(16(22)20-6-8-23-9-7-20)13(11-18-19)17-10-12-4-2-3-5-14(12)21/h2-5,10-11,21H,6-9H2,1H3/b17-10+
InChIKeyRFMKETYUXNQTKF-LICLKQGHSA-N
MW314.35 g/mol
LogP1.35
Rot. Bonds3

About [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone

[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 658220) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID658220
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone
SMILESCn1ncc(/N=C/c2ccccc2O)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N4O3/c1-19-15(16(22)20-6-8-23-9-7-20)13(11-18-19)17-10-12-4-2-3-5-14(12)21/h2-5,10-11,21H,6-9H2,1H3/b17-10+
InChIKeyRFMKETYUXNQTKF-LICLKQGHSA-N
XLogP1.35
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone (CID 658220) is [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone is Cn1ncc(/N=C/c2ccccc2O)c1C(=O)N1CCOCC1.
What is the InChIKey of [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is RFMKETYUXNQTKF-LICLKQGHSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-19-15(16(22)20-6-8-23-9-7-20)13(11-18-19)17-10-12-4-2-3-5-14(12)21/h2-5,10-11,21H,6-9H2,1H3/b17-10+.
What are the key properties of [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone?
[4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 314.35 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-hydroxyphenyl)methylideneamino]-1-methylpyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 658220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).