1-(difluoromethyl)-4-(4-methylphenyl)pyrazole

C11H10F2N2 — CID 121385898

IUPAC1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C11H10F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h2-7,11H,1H3
InChIKeyOAGVWFLMTSRYLC-UHFFFAOYSA-N
MW208.21 g/mol
LogP3.25
Rot. Bonds2

About 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole

1-(difluoromethyl)-4-(4-methylphenyl)pyrazole (PubChem CID 121385898) has the molecular formula C11H10F2N2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
PubChem CID121385898
Molecular FormulaC11H10F2N2
Molecular Weight208.21 g/mol
Exact Mass208.08
IUPAC Name1-(difluoromethyl)-4-(4-methylphenyl)pyrazole
SMILESCc1ccc(-c2cnn(C(F)F)c2)cc1
InChIInChI=1S/C11H10F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h2-7,11H,1H3
InChIKeyOAGVWFLMTSRYLC-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole (CID 121385898) is 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole is Cc1ccc(-c2cnn(C(F)F)c2)cc1.
What is the InChIKey of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole?
The InChIKey is OAGVWFLMTSRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2/c1-8-2-4-9(5-3-8)10-6-14-15(7-10)11(12)13/h2-7,11H,1H3.
What are the key properties of 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole?
1-(difluoromethyl)-4-(4-methylphenyl)pyrazole has a molecular weight of 208.21 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-(4-methylphenyl)pyrazole is sourced from PubChem (CID 121385898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).