4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide

C10H15F3N4O2 — CID 58935662

IUPAC4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(CCOCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C10H15F3N4O2/c1-2-6-7(14)8(9(15)18)17(16-6)3-4-19-5-10(11,12)13/h2-5,14H2,1H3,(H2,15,18)
InChIKeyADQNLHQYFPVKLK-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.71
Rot. Bonds6

About 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide

4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (PubChem CID 58935662) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
PubChem CID58935662
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(CCOCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C10H15F3N4O2/c1-2-6-7(14)8(9(15)18)17(16-6)3-4-19-5-10(11,12)13/h2-5,14H2,1H3,(H2,15,18)
InChIKeyADQNLHQYFPVKLK-UHFFFAOYSA-N
XLogP0.71
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.71
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (CID 58935662) is 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is CCc1nn(CCOCC(F)(F)F)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The InChIKey is ADQNLHQYFPVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-2-6-7(14)8(9(15)18)17(16-6)3-4-19-5-10(11,12)13/h2-5,14H2,1H3,(H2,15,18).
What are the key properties of 4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 0.71, 6 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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 58935662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).