2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate

C17H21Cl2N3O3 — CID 44573937

IUPAC2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C17H21Cl2N3O3/c1-4-24-7-8-25-17(23)14-15(10(2)3)21-22(16(14)20)13-6-5-11(18)9-12(13)19/h5-6,9-10H,4,7-8,20H2,1-3H3
InChIKeyAIQMZITVFSABMC-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.08
Rot. Bonds7

About 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate

2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate (PubChem CID 44573937) has the molecular formula C17H21Cl2N3O3 and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
PubChem CID44573937
Molecular FormulaC17H21Cl2N3O3
Molecular Weight386.28 g/mol
Exact Mass385.10
IUPAC Name2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
SMILESCCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(Cl)cc2Cl)c1N
InChIInChI=1S/C17H21Cl2N3O3/c1-4-24-7-8-25-17(23)14-15(10(2)3)21-22(16(14)20)13-6-5-11(18)9-12(13)19/h5-6,9-10H,4,7-8,20H2,1-3H3
InChIKeyAIQMZITVFSABMC-UHFFFAOYSA-N
XLogP4.08
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate 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

1H-Pyrazole-4-carboxylic acid, 5-amino-1-(2,4-dichlorophenyl)-, ethyl ester
CID 157892
Ethyl 5-amino-3-(pyridin-4-yl)-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carb-oxylate
CID 56950741
2-Ethoxyethyl 5-amino-3-ethyl-1-phenylpyrazole-4-carboxylate
CID 44573824
2-Ethoxyethyl 5-amino-1-phenyl-3-propan-2-ylpyrazole-4-carboxylate
CID 44573825
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-ethylpyrazole-4-carboxylate
CID 44573827
2-Ethoxyethyl 5-amino-1-(4-chlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573828
2-Ethoxyethyl 5-amino-1-(4-methylphenyl)-3-propan-2-ylpyrazole-4-carboxylate
CID 44573935
2-Ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-methylsulfanylpyrazole-4-carboxylate
CID 44573936
Ethyl 5-amino-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
CID 75357931
Ethyl 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylpyrazole-4-carboxylate
CID 10199885
Ethyl 5-amino-1-(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 14300250
5-Amino-4-ethoxycarbonyl-3-trifluoromethyl-1-(2,6-dichloro-4-trifluoromethylphenyl)pyrazole
CID 14300256

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate (CID 44573937) is 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate is CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(Cl)cc2Cl)c1N.
What is the InChIKey of 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is AIQMZITVFSABMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3O3/c1-4-24-7-8-25-17(23)14-15(10(2)3)21-22(16(14)20)13-6-5-11(18)9-12(13)19/h5-6,9-10H,4,7-8,20H2,1-3H3.
What are the key properties of 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate?
2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 386.28 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 5-amino-1-(2,4-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 44573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).