5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole

C12H12Cl2N2 — CID 68557926

IUPAC5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole
SMILESCCc1cc(Cl)cc(Cl)c1-c1ccnn1C
InChIInChI=1S/C12H12Cl2N2/c1-3-8-6-9(13)7-10(14)12(8)11-4-5-15-16(11)2/h4-7H,3H2,1-2H3
InChIKeyDJCTWNKLEORXLP-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.96
Rot. Bonds2

About 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole

5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole (PubChem CID 68557926) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole
PubChem CID68557926
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole
SMILESCCc1cc(Cl)cc(Cl)c1-c1ccnn1C
InChIInChI=1S/C12H12Cl2N2/c1-3-8-6-9(13)7-10(14)12(8)11-4-5-15-16(11)2/h4-7H,3H2,1-2H3
InChIKeyDJCTWNKLEORXLP-UHFFFAOYSA-N
XLogP3.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole 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 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole?
The IUPAC name of 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole (CID 68557926) is 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole.
What is the SMILES notation for 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole?
The canonical SMILES for 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole is CCc1cc(Cl)cc(Cl)c1-c1ccnn1C.
What is the InChIKey of 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole?
The InChIKey is DJCTWNKLEORXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2/c1-3-8-6-9(13)7-10(14)12(8)11-4-5-15-16(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole?
5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole has a molecular weight of 255.15 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichloro-6-ethylphenyl)-1-methylpyrazole is sourced from PubChem (CID 68557926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).