2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide

C14H17N3O2 — CID 77078665

IUPAC2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOC(C(=O)NCCn1cccn1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-19-13(12-6-3-2-4-7-12)14(18)15-9-11-17-10-5-8-16-17/h2-8,10,13H,9,11H2,1H3,(H,15,18)
InChIKeyNKQWPVSLDCKFNW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.39
Rot. Bonds6

About 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide

2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 77078665) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID77078665
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCOC(C(=O)NCCn1cccn1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c1-19-13(12-6-3-2-4-7-12)14(18)15-9-11-17-10-5-8-16-17/h2-8,10,13H,9,11H2,1H3,(H,15,18)
InChIKeyNKQWPVSLDCKFNW-UHFFFAOYSA-N
XLogP1.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide (CID 77078665) is 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide is COC(C(=O)NCCn1cccn1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is NKQWPVSLDCKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-13(12-6-3-2-4-7-12)14(18)15-9-11-17-10-5-8-16-17/h2-8,10,13H,9,11H2,1H3,(H,15,18).
What are the key properties of 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide?
2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 77078665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).