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

C10H17F3N4O — CID 66014045

IUPAC3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCOCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4O/c1-3-7-8(14)9(17(2)16-7)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyHUQNJCFGQNFGFL-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.56
Rot. Bonds6

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

3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (PubChem CID 66014045) has the molecular formula C10H17F3N4O and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
PubChem CID66014045
Molecular FormulaC10H17F3N4O
Molecular Weight266.27 g/mol
Exact Mass266.14
IUPAC Name3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCCOCC(F)(F)F)c1N
InChIInChI=1S/C10H17F3N4O/c1-3-7-8(14)9(17(2)16-7)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3
InChIKeyHUQNJCFGQNFGFL-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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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Related Compounds

1,3-dimethyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 63828161
1-methyl-3-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66010967
1-ethyl-3-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012666
1-methyl-3-propan-2-yl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine
CID 66012728
5-N,1-dimethyl-3-propan-2-yl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66013324
3-ethyl-5-N,1-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 66013855
3-ethyl-1-methyl-4-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-5-amine
CID 66014014
5-N,3-diethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014216
3-Ethyl-1-methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 66014630
3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014791
5-N-cyclopropyl-3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014815
3-ethyl-1-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 66014817

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine (CID 66014045) is 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is CCc1nn(C)c(NCCOCC(F)(F)F)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
The InChIKey is HUQNJCFGQNFGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O/c1-3-7-8(14)9(17(2)16-7)15-4-5-18-6-10(11,12)13/h15H,3-6,14H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine has a molecular weight of 266.27 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4,5-diamine is sourced from PubChem (CID 66014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).