1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

C16H21N3O2 — CID 116602446

IUPAC1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(OC)cc2N)n(CC)n1
InChIInChI=1S/C16H21N3O2/c1-4-11-8-12(19(5-2)18-11)9-16(20)14-7-6-13(21-3)10-15(14)17/h6-8,10H,4-5,9,17H2,1-3H3
InChIKeyPSXODKGAWTYBMN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.48
Rot. Bonds6

About 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone

1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (PubChem CID 116602446) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
PubChem CID116602446
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2ccc(OC)cc2N)n(CC)n1
InChIInChI=1S/C16H21N3O2/c1-4-11-8-12(19(5-2)18-11)9-16(20)14-7-6-13(21-3)10-15(14)17/h6-8,10H,4-5,9,17H2,1-3H3
InChIKeyPSXODKGAWTYBMN-UHFFFAOYSA-N
XLogP2.48
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)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

2-amino-1-(2-amino-4-methoxyphenyl)ethanone
CID 105438694
2-(1,3-diethylpyrazol-5-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 115778768
1-(2-amino-4-methoxyphenyl)-2-(furan-3-yl)ethanone
CID 116602455
1-(2-amino-4-methoxyphenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116602379
2-(1,3-diethylpyrazol-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115778740
1-(2-amino-5-methoxyphenyl)-2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)ethanone
CID 116602566
1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
N-(2-amino-4-methoxyphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119722
1-(1,3-diethylpyrazol-5-yl)-4-(methylamino)butan-2-one
CID 116561204
(1,3-diethylpyrazol-5-yl)methyl 3-amino-2-chlorobenzoate
CID 115936069
1-(3-chloro-4-methylthiophen-2-yl)-2-(1,3-diethylpyrazol-5-yl)ethanone
CID 103407763

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone (CID 116602446) is 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2ccc(OC)cc2N)n(CC)n1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
The InChIKey is PSXODKGAWTYBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-11-8-12(19(5-2)18-11)9-16(20)14-7-6-13(21-3)10-15(14)17/h6-8,10H,4-5,9,17H2,1-3H3.
What are the key properties of 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone?
1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone has a molecular weight of 287.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)-2-(1,3-diethylpyrazol-5-yl)ethanone is sourced from PubChem (CID 116602446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).