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

C10H15F3N4O2 — CID 68889746

IUPAC4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C(C)OCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(9(15)18)17(16-6)5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H2,15,18)
InChIKeyZTICPIPTCRIEQA-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.22
Rot. Bonds5

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

4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (PubChem CID 68889746) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
PubChem CID68889746
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C(C)OCC(F)(F)F)c(C(N)=O)c1N
InChIInChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(9(15)18)17(16-6)5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H2,15,18)
InChIKeyZTICPIPTCRIEQA-UHFFFAOYSA-N
XLogP1.22
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (CID 68889746) is 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is CCc1nn(C(C)OCC(F)(F)F)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The InChIKey is ZTICPIPTCRIEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(9(15)18)17(16-6)5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H2,15,18).
What are the key properties of 4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 1.22, 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-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 68889746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).