2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine

C17H15ClFN3 — CID 82072636

IUPAC2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
SMILESNCCc1cc(-c2ccccc2Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15ClFN3/c18-16-4-2-1-3-15(16)17-11-13(9-10-20)21-22(17)14-7-5-12(19)6-8-14/h1-8,11H,9-10,20H2
InChIKeyQKWRBHFPSNDPCC-UHFFFAOYSA-N
MW315.78 g/mol
LogP3.83
Rot. Bonds4

About 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine

2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine (PubChem CID 82072636) has the molecular formula C17H15ClFN3 and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
PubChem CID82072636
Molecular FormulaC17H15ClFN3
Molecular Weight315.78 g/mol
Exact Mass315.09
IUPAC Name2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine
SMILESNCCc1cc(-c2ccccc2Cl)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H15ClFN3/c18-16-4-2-1-3-15(16)17-11-13(9-10-20)21-22(17)14-7-5-12(19)6-8-14/h1-8,11H,9-10,20H2
InChIKeyQKWRBHFPSNDPCC-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]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-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine (CID 82072636) is 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine is NCCc1cc(-c2ccccc2Cl)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
The InChIKey is QKWRBHFPSNDPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3/c18-16-4-2-1-3-15(16)17-11-13(9-10-20)21-22(17)14-7-5-12(19)6-8-14/h1-8,11H,9-10,20H2.
What are the key properties of 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine?
2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine has a molecular weight of 315.78 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82072636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).