[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

C13H15F3N4 — CID 102709995

IUPAC[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4/c1-7-11(8(2)20(3)19-7)12(17)9-6-18-5-4-10(9)13(14,15)16/h4-6,12H,17H2,1-3H3
InChIKeyUETGJOGSQWPMCG-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.50
Rot. Bonds2

About [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine

[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 102709995) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID102709995
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cnccc1C(F)(F)F
InChIInChI=1S/C13H15F3N4/c1-7-11(8(2)20(3)19-7)12(17)9-6-18-5-4-10(9)13(14,15)16/h4-6,12H,17H2,1-3H3
InChIKeyUETGJOGSQWPMCG-UHFFFAOYSA-N
XLogP2.50
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
(2,5-dimethylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710062
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708046
(2-chloro-6-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710002
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
(4-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102707952
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3,4-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708429
(4-ethylsulfanylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106848731
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105172503
(2,6-difluoro-3-methylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105175854

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 102709995) is [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1cnccc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is UETGJOGSQWPMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-7-11(8(2)20(3)19-7)12(17)9-6-18-5-4-10(9)13(14,15)16/h4-6,12H,17H2,1-3H3.
What are the key properties of [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine?
[4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 284.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3-pyridinyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 102709995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).