1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole

C13H14Cl2N2O — CID 71082480

IUPAC1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole
SMILESCCOc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C
InChIInChI=1S/C13H14Cl2N2O/c1-4-18-13-8(2)9(3)17(16-13)10-5-6-11(14)12(15)7-10/h5-7H,4H2,1-3H3
InChIKeyMFIHUGNTYSGIRU-UHFFFAOYSA-N
MW285.17 g/mol
LogP4.19
Rot. Bonds3

About 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole

1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole (PubChem CID 71082480) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole
PubChem CID71082480
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole
SMILESCCOc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C
InChIInChI=1S/C13H14Cl2N2O/c1-4-18-13-8(2)9(3)17(16-13)10-5-6-11(14)12(15)7-10/h5-7H,4H2,1-3H3
InChIKeyMFIHUGNTYSGIRU-UHFFFAOYSA-N
XLogP4.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole 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 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole (CID 71082480) is 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole is CCOc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1C.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole?
The InChIKey is MFIHUGNTYSGIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-4-18-13-8(2)9(3)17(16-13)10-5-6-11(14)12(15)7-10/h5-7H,4H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole?
1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole has a molecular weight of 285.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole is sourced from PubChem (CID 71082480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).