2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

C12H14F3N3S — CID 55088469

IUPAC2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCCc2ccsc2)n1
InChIInChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2
InChIKeyHIRPDINNTHTZMV-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.80
Rot. Bonds6

About 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine

2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (PubChem CID 55088469) has the molecular formula C12H14F3N3S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.

Molecular Properties

Compound Name2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
PubChem CID55088469
Molecular FormulaC12H14F3N3S
Molecular Weight289.33 g/mol
Exact Mass289.09
IUPAC Name2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine
SMILESFC(F)(F)c1ccn(CCNCCc2ccsc2)n1
InChIInChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2
InChIKeyHIRPDINNTHTZMV-UHFFFAOYSA-N
XLogP2.80
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(thiophen-2-ylmethyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808078
N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)propane-1-sulfonamide
CID 86266413
dimethyl({2-[3-(thiophen-3-yl)-1H-pyrazol-1-yl]ethyl}sulfamoyl)amine
CID 86266417
n-((3-Methylthiophen-2-yl)methyl)-2-(1h-pyrazol-1-yl)ethan-1-amine
CID 53533966
2-(4-methylpyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 53623601
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]-2-thiophen-3-ylpropan-1-amine
CID 84588852
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylethanamine
CID 86808487
(2R)-3-methyl-2-(2-methylpyrazol-3-yl)-N-(thiophen-3-ylmethyl)butan-1-amine
CID 124848303
N-[(2R)-2-pyrazol-1-yl-2-thiophen-3-ylethyl]methanesulfonamide
CID 129527888
1-Methyl-5-[2-(trifluoromethyl)thiophen-3-yl]pyrazole
CID 68348941
1-Methyl-5-thiophen-3-yl-4-(trifluoromethyl)pyrazole
CID 68349016
3-(2,4-Difluorothiophen-3-yl)-1-propan-2-ylpyrazole
CID 142566128

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The IUPAC name of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine (CID 55088469) is 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine.
What is the SMILES notation for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The canonical SMILES for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is FC(F)(F)c1ccn(CCNCCc2ccsc2)n1.
What is the InChIKey of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
The InChIKey is HIRPDINNTHTZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3S/c13-12(14,15)11-2-6-18(17-11)7-5-16-4-1-10-3-8-19-9-10/h2-3,6,8-9,16H,1,4-5,7H2.
What are the key properties of 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine?
2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine has a molecular weight of 289.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]ethanamine is sourced from PubChem (CID 55088469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).