6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

C12H13F3N4 — CID 102716717

IUPAC6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCn1nccc1-c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C12H13F3N4/c1-3-19-10(4-5-17-19)9-6-8(12(13,14)15)7-11(16-2)18-9/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyWYRHQDXWVGMFMD-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.03
Rot. Bonds3

About 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine

6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102716717) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102716717
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCn1nccc1-c1cc(C(F)(F)F)cc(NC)n1
InChIInChI=1S/C12H13F3N4/c1-3-19-10(4-5-17-19)9-6-8(12(13,14)15)7-11(16-2)18-9/h4-7H,3H2,1-2H3,(H,16,18)
InChIKeyWYRHQDXWVGMFMD-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine (CID 102716717) is 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is CCn1nccc1-c1cc(C(F)(F)F)cc(NC)n1.
What is the InChIKey of 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WYRHQDXWVGMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-3-19-10(4-5-17-19)9-6-8(12(13,14)15)7-11(16-2)18-9/h4-7H,3H2,1-2H3,(H,16,18).
What are the key properties of 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine?
6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 270.26 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylpyrazol-3-yl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102716717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).