5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine

C10H18F2N4O — CID 114126957

IUPAC5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOCC(F)F
InChIInChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)15-16)14-4-5-17-6-8(11)12/h8,14H,3-6,13H2,1-2H3
InChIKeySTYOXYIOYZJIPD-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.49
Rot. Bonds7

About 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine

5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine (PubChem CID 114126957) has the molecular formula C10H18F2N4O and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
PubChem CID114126957
Molecular FormulaC10H18F2N4O
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCCOCC(F)F
InChIInChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)15-16)14-4-5-17-6-8(11)12/h8,14H,3-6,13H2,1-2H3
InChIKeySTYOXYIOYZJIPD-UHFFFAOYSA-N
XLogP1.49
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.49
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 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The IUPAC name of 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine (CID 114126957) is 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCCOCC(F)F.
What is the InChIKey of 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
The InChIKey is STYOXYIOYZJIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N4O/c1-3-16-10(9(13)7(2)15-16)14-4-5-17-6-8(11)12/h8,14H,3-6,13H2,1-2H3.
What are the key properties of 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine?
5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine has a molecular weight of 248.28 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(2,2-difluoroethoxy)ethyl]-1-ethyl-3-methylpyrazole-4,5-diamine is sourced from PubChem (CID 114126957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).