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

C15H18F3N3 — CID 105146531

IUPAC1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H18F3N3/c1-8-10(9(2)21(3)20-8)5-7-13(19)11-4-6-12(16)15(18)14(11)17/h4,6,13H,5,7,19H2,1-3H3
InChIKeyOFULTDNYPNURQW-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.09
Rot. Bonds4

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

1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (PubChem CID 105146531) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
PubChem CID105146531
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
SMILESCc1nn(C)c(C)c1CCC(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H18F3N3/c1-8-10(9(2)21(3)20-8)5-7-13(19)11-4-6-12(16)15(18)14(11)17/h4,6,13H,5,7,19H2,1-3H3
InChIKeyOFULTDNYPNURQW-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)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-(3,4-difluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105176047
1-(3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105090783
1-thiophen-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105154076
[1-(2-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105292407
1-(3-chloro-4-fluorophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103043410
1-pyridin-3-yl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105098522
N',N'-diethyl-1-(2,3,4-trifluorophenyl)propane-1,3-diamine
CID 79087025
[1-(4-fluoro-3-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 105302658
1-(3-bromo-2,6-difluorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106944585
1-(4-methylphenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 105088724
1-(1-ethylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105109199
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832377

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine (CID 105146531) is 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is Cc1nn(C)c(C)c1CCC(N)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
The InChIKey is OFULTDNYPNURQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-8-10(9(2)21(3)20-8)5-7-13(19)11-4-6-12(16)15(18)14(11)17/h4,6,13H,5,7,19H2,1-3H3.
What are the key properties of 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine?
1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105146531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).