1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole

C18H15F3N2 — CID 22965614

IUPAC1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H15F3N2/c1-12-3-7-14(8-4-12)16-11-17(18(19,20)21)22-23(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyIUCYMYXIAQVGFQ-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.17
Rot. Bonds2

About 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole

1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 22965614) has the molecular formula C18H15F3N2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID22965614
Molecular FormulaC18H15F3N2
Molecular Weight316.33 g/mol
Exact Mass316.12
IUPAC Name1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1
InChIInChI=1S/C18H15F3N2/c1-12-3-7-14(8-4-12)16-11-17(18(19,20)21)22-23(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3
InChIKeyIUCYMYXIAQVGFQ-UHFFFAOYSA-N
XLogP5.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole (CID 22965614) is 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1.
What is the InChIKey of 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is IUCYMYXIAQVGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2/c1-12-3-7-14(8-4-12)16-11-17(18(19,20)21)22-23(16)15-9-5-13(2)6-10-15/h3-11H,1-2H3.
What are the key properties of 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole?
1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 316.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22965614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).