N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine

C13H15F3N4 — CID 115939817

IUPACN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H15F3N4/c1-3-10(17-2)11-5-4-9(8-18-11)20-7-6-12(19-20)13(14,15)16/h4-8,10,17H,3H2,1-2H3
InChIKeyKWNOPILOZGHYKZ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.96
Rot. Bonds4

About N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine

N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine (PubChem CID 115939817) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
PubChem CID115939817
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC NameN-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCC(NC)c1ccc(-n2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C13H15F3N4/c1-3-10(17-2)11-5-4-9(8-18-11)20-7-6-12(19-20)13(14,15)16/h4-8,10,17H,3H2,1-2H3
InChIKeyKWNOPILOZGHYKZ-UHFFFAOYSA-N
XLogP2.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine 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

[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 113320436
methyl 1-[6-[1-(methylamino)propyl]-3-pyridinyl]-1,2,4-triazole-3-carboxylate
CID 115939850
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939349
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
N-methyl-1-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]propan-1-amine
CID 112584809
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
5-(3-chloropyrazol-1-yl)-2-(trifluoromethyl)pyridine;ethane
CID 177229959
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
CID 112584497
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 63372117
1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pentan-2-ol
CID 111118842
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine (CID 115939817) is N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine is CCC(NC)c1ccc(-n2ccc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is KWNOPILOZGHYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-3-10(17-2)11-5-4-9(8-18-11)20-7-6-12(19-20)13(14,15)16/h4-8,10,17H,3H2,1-2H3.
What are the key properties of N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine?
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 284.29 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).