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

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Related Compounds

4-Chloro-3-(4-chloro-2-fluoro-5-hydroxyphenyl)-5-difluoromethoxy-1-methylpyrazole
CID 11324880
4-Chloro-3-(4-chloro-2-fluoro-5-methoxyphenyl)-5-(difluoromethoxy)-1-methyl-1H-pyrazole
CID 22392595
3-Chloro-5-(4-chlorophenyl)-4-(2,6-difluoro-4-methoxyphenyl)-1-methylpyrazole
CID 44241548
4-Bromo-3-(4-chloro-2-fluorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
CID 11013698
3-[(2,3-Dichlorophenyl)methyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11023193
1-Methyl-5-difluoromethoxy-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11357876
4-Chloro-3-[4-chloro-2-fluoro-5-(4-methoxybut-2-ynoxy)phenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11407189
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chloro-5-aminophenyl)pyrazole
CID 11427347
1-Methyl-5-difluoromethoxy-4-chloro-3-(2-fluoro-4-chlorophenyl)pyrazole
CID 11438328
4-chloro-3-[4-chloro-5-[(E)-2-diethoxyphosphorylethenyl]-2-fluorophenyl]-5-(difluoromethoxy)-1-methylpyrazole
CID 11733432
2-Chloro-5-(4-chloro-5-difluoromethoxy-1-methyl-1H-pyrazol-3-yl)-4-fluorobenzaldehyde
CID 11809922
4-chloro-3-(2,3-dichlorobenzyl)-5-difluoromethoxy-methyl-1H-pyrazole
CID 11824049

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).