[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine

C15H12F3N3O — CID 70062616

IUPAC[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(-c2cn[nH]c2C(F)(F)F)o1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14-11(8-20-21-14)13-6-5-12(22-13)10-4-2-1-3-9(10)7-19/h1-6,8H,7,19H2,(H,20,21)
InChIKeyCHYMJURBAFFEQE-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.81
Rot. Bonds3

About [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine

[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine (PubChem CID 70062616) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine
PubChem CID70062616
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine
SMILESNCc1ccccc1-c1ccc(-c2cn[nH]c2C(F)(F)F)o1
InChIInChI=1S/C15H12F3N3O/c16-15(17,18)14-11(8-20-21-14)13-6-5-12(22-13)10-4-2-1-3-9(10)7-19/h1-6,8H,7,19H2,(H,20,21)
InChIKeyCHYMJURBAFFEQE-UHFFFAOYSA-N
XLogP3.81
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine 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-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine?
The IUPAC name of [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine (CID 70062616) is [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine.
What is the SMILES notation for [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine?
The canonical SMILES for [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine is NCc1ccccc1-c1ccc(-c2cn[nH]c2C(F)(F)F)o1.
What is the InChIKey of [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine?
The InChIKey is CHYMJURBAFFEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c16-15(17,18)14-11(8-20-21-14)13-6-5-12(22-13)10-4-2-1-3-9(10)7-19/h1-6,8H,7,19H2,(H,20,21).
What are the key properties of [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine?
[2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine has a molecular weight of 307.28 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]furan-2-yl]phenyl]methanamine is sourced from PubChem (CID 70062616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).