1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

C12H12F3N3 — CID 82088628

IUPAC1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cccc(C)c1-n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C12H12F3N3/c1-7-4-3-5-8(2)11(7)18-10(16)6-9(17-18)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyYSOCCAXGSOAULI-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.09
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine

1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 82088628) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID82088628
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1cccc(C)c1-n1nc(C(F)(F)F)cc1N
InChIInChI=1S/C12H12F3N3/c1-7-4-3-5-8(2)11(7)18-10(16)6-9(17-18)12(13,14)15/h3-6H,16H2,1-2H3
InChIKeyYSOCCAXGSOAULI-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19624453
1-(4-propan-2-ylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 82092796
1-(2,6-difluorophenyl)-5-ethyl-3-(trifluoromethyl)pyrazole
CID 70791479
[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 19627300
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19616585
1-(4-ethyl-2-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 156675371
3-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 23069971
1-phenyl-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-5-amine
CID 56954316
1-ethyl-3-(trifluoromethyl)pyrazol-5-amine
CID 19623304
4-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 130707374
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847696

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine (CID 82088628) is 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is Cc1cccc(C)c1-n1nc(C(F)(F)F)cc1N.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is YSOCCAXGSOAULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-7-4-3-5-8(2)11(7)18-10(16)6-9(17-18)12(13,14)15/h3-6H,16H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine?
1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 255.24 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 82088628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).