5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole

C12H12F2N2O — CID 4118684

IUPAC5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cc(OC(F)F)n(C)n2)cc1
InChIInChI=1S/C12H12F2N2O/c1-8-3-5-9(6-4-8)10-7-11(16(2)15-10)17-12(13)14/h3-7,12H,1-2H3
InChIKeyJTFWCXSOVZDWPL-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.00
Rot. Bonds3

About 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole

5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole (PubChem CID 4118684) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole
PubChem CID4118684
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cc(OC(F)F)n(C)n2)cc1
InChIInChI=1S/C12H12F2N2O/c1-8-3-5-9(6-4-8)10-7-11(16(2)15-10)17-12(13)14/h3-7,12H,1-2H3
InChIKeyJTFWCXSOVZDWPL-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole?
The IUPAC name of 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole (CID 4118684) is 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole?
The canonical SMILES for 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole is Cc1ccc(-c2cc(OC(F)F)n(C)n2)cc1.
What is the InChIKey of 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole?
The InChIKey is JTFWCXSOVZDWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-8-3-5-9(6-4-8)10-7-11(16(2)15-10)17-12(13)14/h3-7,12H,1-2H3.
What are the key properties of 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole?
5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole has a molecular weight of 238.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-methyl-3-(4-methylphenyl)pyrazole is sourced from PubChem (CID 4118684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).