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

C10H15F3N4O2 — CID 68889748

IUPAC4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)OCC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(17-16-6)9(18)15-5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFYWNEMNWFIRDFL-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.21
Rot. Bonds5

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

4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 68889748) has the molecular formula C10H15F3N4O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID68889748
Molecular FormulaC10H15F3N4O2
Molecular Weight280.25 g/mol
Exact Mass280.11
IUPAC Name4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NC(C)OCC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(17-16-6)9(18)15-5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyFYWNEMNWFIRDFL-UHFFFAOYSA-N
XLogP1.21
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide (CID 68889748) is 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NC(C)OCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is FYWNEMNWFIRDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O2/c1-3-6-7(14)8(17-16-6)9(18)15-5(2)19-4-10(11,12)13/h5H,3-4,14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-[1-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 68889748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).