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

C11H8Cl2F2N2O — CID 15220185

IUPAC4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F2N2O/c1-17-10(18-11(14)15)8(13)9(16-17)6-2-4-7(12)5-3-6/h2-5,11H,1H3
InChIKeySUCCCALSZOFNKZ-UHFFFAOYSA-N
MW293.10 g/mol
LogP4.00
Rot. Bonds3

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

4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (PubChem CID 15220185) has the molecular formula C11H8Cl2F2N2O and a molecular weight of 293.10 g/mol. Its IUPAC name is 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.

Molecular Properties

Compound Name4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
PubChem CID15220185
Molecular FormulaC11H8Cl2F2N2O
Molecular Weight293.10 g/mol
Exact Mass292.00
IUPAC Name4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole
SMILESCn1nc(-c2ccc(Cl)cc2)c(Cl)c1OC(F)F
InChIInChI=1S/C11H8Cl2F2N2O/c1-17-10(18-11(14)15)8(13)9(16-17)6-2-4-7(12)5-3-6/h2-5,11H,1H3
InChIKeySUCCCALSZOFNKZ-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The IUPAC name of 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole (CID 15220185) is 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole.
What is the SMILES notation for 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The canonical SMILES for 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is Cn1nc(-c2ccc(Cl)cc2)c(Cl)c1OC(F)F.
What is the InChIKey of 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
The InChIKey is SUCCCALSZOFNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2F2N2O/c1-17-10(18-11(14)15)8(13)9(16-17)6-2-4-7(12)5-3-6/h2-5,11H,1H3.
What are the key properties of 4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole?
4-chloro-3-(4-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole has a molecular weight of 293.10 g/mol, XLogP of 4.00, 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-chlorophenyl)-5-(difluoromethoxy)-1-methylpyrazole is sourced from PubChem (CID 15220185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).