1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

C10H16F3N3S — CID 113260346

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCSC(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-7(9-6-16(3)15-8(9)2)14-4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyFTFNFHRRPNJMAL-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.63
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine

1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (PubChem CID 113260346) has the molecular formula C10H16F3N3S and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
PubChem CID113260346
Molecular FormulaC10H16F3N3S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
SMILESCc1nn(C)cc1C(C)NCCSC(F)(F)F
InChIInChI=1S/C10H16F3N3S/c1-7(9-6-16(3)15-8(9)2)14-4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3
InChIKeyFTFNFHRRPNJMAL-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine (CID 113260346) is 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is Cc1nn(C)cc1C(C)NCCSC(F)(F)F.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
The InChIKey is FTFNFHRRPNJMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3S/c1-7(9-6-16(3)15-8(9)2)14-4-5-17-10(11,12)13/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine has a molecular weight of 267.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 113260346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).