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

C12H11F3N2 — CID 10610066

IUPAC1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)10-7-11(12(13,14)15)17(2)16-10/h3-7H,1-2H3
InChIKeyXQBUZYKRSYMXKM-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.41
Rot. Bonds1

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

1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 10610066) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID10610066
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)n(C)n2)cc1
InChIInChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)10-7-11(12(13,14)15)17(2)16-10/h3-7H,1-2H3
InChIKeyXQBUZYKRSYMXKM-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole (CID 10610066) is 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)n(C)n2)cc1.
What is the InChIKey of 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is XQBUZYKRSYMXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-8-3-5-9(6-4-8)10-7-11(12(13,14)15)17(2)16-10/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole?
1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 240.23 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 10610066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).