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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Celecoxib
CID 2662
Difenzoquat
CID 39425
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 57401854
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
1-(2,4-Difluorophenyl)-5-methyl-4-phenyltriazole
CID 342451
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
1,3,5-Triphenylpyrazole
CID 626614
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596

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).