4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

C13H14F3N3 — CID 82092793

IUPAC4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(C(F)(F)F)nn(C)c2N)c(C)c1
InChIInChI=1S/C13H14F3N3/c1-7-4-5-9(8(2)6-7)10-11(13(14,15)16)18-19(3)12(10)17/h4-6H,17H2,1-3H3
InChIKeyMLBVLLGNVYENJV-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.30
Rot. Bonds1

About 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine

4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (PubChem CID 82092793) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
PubChem CID82092793
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine
SMILESCc1ccc(-c2c(C(F)(F)F)nn(C)c2N)c(C)c1
InChIInChI=1S/C13H14F3N3/c1-7-4-5-9(8(2)6-7)10-11(13(14,15)16)18-19(3)12(10)17/h4-6H,17H2,1-3H3
InChIKeyMLBVLLGNVYENJV-UHFFFAOYSA-N
XLogP3.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine (CID 82092793) is 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is Cc1ccc(-c2c(C(F)(F)F)nn(C)c2N)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is MLBVLLGNVYENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-7-4-5-9(8(2)6-7)10-11(13(14,15)16)18-19(3)12(10)17/h4-6H,17H2,1-3H3.
What are the key properties of 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine?
4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 269.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-1-methyl-3-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 82092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).