4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide

C10H15F3N4OS — CID 106425322

IUPAC4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCSC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4OS/c1-3-6-7(14)8(17(2)16-6)9(18)15-4-5-19-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18)
InChIKeyFFVNOBMFPSZFTK-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.55
Rot. Bonds5

About 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide

4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide (PubChem CID 106425322) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide
PubChem CID106425322
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC Name4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCSC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4OS/c1-3-6-7(14)8(17(2)16-6)9(18)15-4-5-19-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18)
InChIKeyFFVNOBMFPSZFTK-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide (CID 106425322) is 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCSC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide?
The InChIKey is FFVNOBMFPSZFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c1-3-6-7(14)8(17(2)16-6)9(18)15-4-5-19-10(11,12)13/h3-5,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 106425322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).