1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole

C10H15F3N2 — CID 70645202

IUPAC1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCC(C)(C)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-9(2,3)7-6-15(4)14-8(7)10(11,12)13/h6H,5H2,1-4H3
InChIKeyJKNZMIIGVXFJTJ-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole

1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 70645202) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID70645202
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESCCC(C)(C)c1cn(C)nc1C(F)(F)F
InChIInChI=1S/C10H15F3N2/c1-5-9(2,3)7-6-15(4)14-8(7)10(11,12)13/h6H,5H2,1-4H3
InChIKeyJKNZMIIGVXFJTJ-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole (CID 70645202) is 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole is CCC(C)(C)c1cn(C)nc1C(F)(F)F.
What is the InChIKey of 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is JKNZMIIGVXFJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-5-9(2,3)7-6-15(4)14-8(7)10(11,12)13/h6H,5H2,1-4H3.
What are the key properties of 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole?
1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 220.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylbutan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70645202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).