2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine

C13H14F3N3 — CID 115464356

IUPAC2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine
SMILESNCCc1ccccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-6-8-19(18-12)9-11-4-2-1-3-10(11)5-7-17/h1-4,6,8H,5,7,9,17H2
InChIKeyDDVRMZJWNMWNEZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.45
Rot. Bonds4

About 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine

2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine (PubChem CID 115464356) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine
PubChem CID115464356
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine
SMILESNCCc1ccccc1Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c14-13(15,16)12-6-8-19(18-12)9-11-4-2-1-3-10(11)5-7-17/h1-4,6,8H,5,7,9,17H2
InChIKeyDDVRMZJWNMWNEZ-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine (CID 115464356) is 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine is NCCc1ccccc1Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine?
The InChIKey is DDVRMZJWNMWNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)12-6-8-19(18-12)9-11-4-2-1-3-10(11)5-7-17/h1-4,6,8H,5,7,9,17H2.
What are the key properties of 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine?
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]ethanamine is sourced from PubChem (CID 115464356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).