3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine

C13H14F3N3 — CID 103009601

IUPAC3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3N3/c1-19-9(4-5-18-19)2-3-12(17)8-6-10(14)13(16)11(15)7-8/h4-7,12H,2-3,17H2,1H3
InChIKeyYXBPUTPYRGPZAR-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.47
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine

3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine (PubChem CID 103009601) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
PubChem CID103009601
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
SMILESCn1nccc1CCC(N)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H14F3N3/c1-19-9(4-5-18-19)2-3-12(17)8-6-10(14)13(16)11(15)7-8/h4-7,12H,2-3,17H2,1H3
InChIKeyYXBPUTPYRGPZAR-UHFFFAOYSA-N
XLogP2.47
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)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

1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
N-methyl-3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009605
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010531
1-(3,4-difluorophenyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009150
1-(2-chloro-3-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030836
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051
1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine (CID 103009601) is 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine is Cn1nccc1CCC(N)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine?
The InChIKey is YXBPUTPYRGPZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-9(4-5-18-19)2-3-12(17)8-6-10(14)13(16)11(15)7-8/h4-7,12H,2-3,17H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine?
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine has a molecular weight of 269.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine is sourced from PubChem (CID 103009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).