1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C10H16F3N3S — CID 103778117

IUPAC1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCCn1cc(C(C)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3S/c1-3-16-7-9(6-15-16)8(2)14-4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyOWNREGJANOATFO-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.81
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 103778117) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID103778117
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCCn1cc(C(C)NCCSC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3S/c1-3-16-7-9(6-15-16)8(2)14-4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3
InChIKeyOWNREGJANOATFO-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]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 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 103778117) is 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is CCn1cc(C(C)NCCSC(F)(F)F)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is OWNREGJANOATFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-3-16-7-9(6-15-16)8(2)14-4-5-17-10(11,12)13/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 103778117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).