N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

C11H11ClF3N3S — CID 62565641

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClF3N3S/c12-10-2-1-8(19-10)7-16-4-6-18-5-3-9(17-18)11(13,14)15/h1-3,5,16H,4,6-7H2
InChIKeyFZVHZRLKWNUIHE-UHFFFAOYSA-N
MW309.74 g/mol
LogP3.41
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine

N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (PubChem CID 62565641) has the molecular formula C11H11ClF3N3S and a molecular weight of 309.74 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
PubChem CID62565641
Molecular FormulaC11H11ClF3N3S
Molecular Weight309.74 g/mol
Exact Mass309.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCc2ccc(Cl)s2)n1
InChIInChI=1S/C11H11ClF3N3S/c12-10-2-1-8(19-10)7-16-4-6-18-5-3-9(17-18)11(13,14)15/h1-3,5,16H,4,6-7H2
InChIKeyFZVHZRLKWNUIHE-UHFFFAOYSA-N
XLogP3.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-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 N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine (CID 62565641) is N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is FC(F)(F)c1ccn(CCNCc2ccc(Cl)s2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
The InChIKey is FZVHZRLKWNUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3S/c12-10-2-1-8(19-10)7-16-4-6-18-5-3-9(17-18)11(13,14)15/h1-3,5,16H,4,6-7H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine?
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine has a molecular weight of 309.74 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine is sourced from PubChem (CID 62565641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).