1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone

C15H19N3O2 — CID 676027

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone
SMILESCCOc1ccc(NCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-14-7-5-13(6-8-14)16-10-15(19)18-12(3)9-11(2)17-18/h5-9,16H,4,10H2,1-3H3
InChIKeyQFNDOQYAKAGWPN-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.65
Rot. Bonds5

About 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone

1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone (PubChem CID 676027) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone
PubChem CID676027
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone
SMILESCCOc1ccc(NCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H19N3O2/c1-4-20-14-7-5-13(6-8-14)16-10-15(19)18-12(3)9-11(2)17-18/h5-9,16H,4,10H2,1-3H3
InChIKeyQFNDOQYAKAGWPN-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone with MolForge

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

Launch Full Analysis

Related Compounds

CID 5298752
CID 5298752
CID 658913
CID 658913
CID 703663
CID 703663
CID 653451
CID 653451
CID 661649
CID 661649
CID 1506939
CID 1506939
CID 2139744
CID 2139744
CID 3245018
CID 3245018
CID 15943482
CID 15943482
CID 44589918
CID 44589918
CID 44589975
CID 44589975
CID 787892
CID 787892

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone (CID 676027) is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone is CCOc1ccc(NCC(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone?
The InChIKey is QFNDOQYAKAGWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-14-7-5-13(6-8-14)16-10-15(19)18-12(3)9-11(2)17-18/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone has a molecular weight of 273.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethoxyanilino)ethanone is sourced from PubChem (CID 676027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).