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

C11H17F3N4O2 — CID 66116766

IUPAC4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCOCC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O2/c1-3-7-8(15)9(18(2)17-7)10(19)16-4-5-20-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19)
InChIKeyUSSGHXUIFKUJJN-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.87
Rot. Bonds6

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

4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (PubChem CID 66116766) has the molecular formula C11H17F3N4O2 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
PubChem CID66116766
Molecular FormulaC11H17F3N4O2
Molecular Weight294.28 g/mol
Exact Mass294.13
IUPAC Name4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCCOCC(F)(F)F)c1N
InChIInChI=1S/C11H17F3N4O2/c1-3-7-8(15)9(18(2)17-7)10(19)16-4-5-20-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19)
InChIKeyUSSGHXUIFKUJJN-UHFFFAOYSA-N
XLogP0.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.87
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-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide (CID 66116766) is 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCCOCC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
The InChIKey is USSGHXUIFKUJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2/c1-3-7-8(15)9(18(2)17-7)10(19)16-4-5-20-6-11(12,13)14/h3-6,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide has a molecular weight of 294.28 g/mol, XLogP of 0.87, 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-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66116766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).