N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide

C15H18N4O2 — CID 39724022

IUPACN-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H18N4O2/c20-15(12-19-7-1-6-16-19)17-13-2-4-14(5-3-13)18-8-10-21-11-9-18/h1-7H,8-12H2,(H,17,20)
InChIKeyDJSNOLFMSXYTEC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.36
Rot. Bonds4

About N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide

N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide (PubChem CID 39724022) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide
PubChem CID39724022
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C15H18N4O2/c20-15(12-19-7-1-6-16-19)17-13-2-4-14(5-3-13)18-8-10-21-11-9-18/h1-7H,8-12H2,(H,17,20)
InChIKeyDJSNOLFMSXYTEC-UHFFFAOYSA-N
XLogP1.36
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide (CID 39724022) is N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is DJSNOLFMSXYTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-15(12-19-7-1-6-16-19)17-13-2-4-14(5-3-13)18-8-10-21-11-9-18/h1-7H,8-12H2,(H,17,20).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide?
N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 286.33 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 39724022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).