4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole

C12H10Cl2F2N2O — CID 15220186

IUPAC4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2F2N2O/c1-6-5-7(3-4-8(6)13)10-9(14)11(18(2)17-10)19-12(15)16/h3-5,12H,1-2H3
InChIKeyJFEYWYKTMGNJCP-UHFFFAOYSA-N
MW307.13 g/mol
LogP4.30
Rot. Bonds3

About 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole

4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15220186) has the molecular formula C12H10Cl2F2N2O and a molecular weight of 307.13 g/mol. Its IUPAC name is 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15220186
Molecular FormulaC12H10Cl2F2N2O
Molecular Weight307.13 g/mol
Exact Mass306.01
IUPAC Name4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl
InChIInChI=1S/C12H10Cl2F2N2O/c1-6-5-7(3-4-8(6)13)10-9(14)11(18(2)17-10)19-12(15)16/h3-5,12H,1-2H3
InChIKeyJFEYWYKTMGNJCP-UHFFFAOYSA-N
XLogP4.30
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-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 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15220186) is 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cc1cc(-c2nn(C)c(OC(F)F)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is JFEYWYKTMGNJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2F2N2O/c1-6-5-7(3-4-8(6)13)10-9(14)11(18(2)17-10)19-12(15)16/h3-5,12H,1-2H3.
What are the key properties of 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 307.13 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-chloro-3-methylphenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15220186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).