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

C10H17F3N4O — CID 66012666

IUPAC1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-3-17-9(8(14)7(2)16-17)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyOZPKZNBSHJDIPZ-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.78
Rot. Bonds6

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

1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 66012666) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
PubChem CID66012666
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOCC(F)(F)F
InChIInChI=1S/C10H17F3N4O/c1-3-17-9(8(14)7(2)16-17)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyOZPKZNBSHJDIPZ-UHFFFAOYSA-N
XLogP1.78
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.78
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 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (CID 66012666) is 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCOCC(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is OZPKZNBSHJDIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-3-17-9(8(14)7(2)16-17)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 266.27 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66012666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).