1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

C10H13F2N5O2 — CID 103146401

IUPAC1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CCOCC(F)F)no2)c1
InChIInChI=1S/C10H13F2N5O2/c11-8(12)6-18-2-1-9-15-10(19-16-9)5-17-4-7(13)3-14-17/h3-4,8H,1-2,5-6,13H2
InChIKeyXZAFLGZWMNOVMY-UHFFFAOYSA-N
MW273.24 g/mol
LogP0.72
Rot. Bonds7

About 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine

1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (PubChem CID 103146401) has the molecular formula C10H13F2N5O2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
PubChem CID103146401
Molecular FormulaC10H13F2N5O2
Molecular Weight273.24 g/mol
Exact Mass273.10
IUPAC Name1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
SMILESNc1cnn(Cc2nc(CCOCC(F)F)no2)c1
InChIInChI=1S/C10H13F2N5O2/c11-8(12)6-18-2-1-9-15-10(19-16-9)5-17-4-7(13)3-14-17/h3-4,8H,1-2,5-6,13H2
InChIKeyXZAFLGZWMNOVMY-UHFFFAOYSA-N
XLogP0.72
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine (CID 103146401) is 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is Nc1cnn(Cc2nc(CCOCC(F)F)no2)c1.
What is the InChIKey of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
The InChIKey is XZAFLGZWMNOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5O2/c11-8(12)6-18-2-1-9-15-10(19-16-9)5-17-4-7(13)3-14-17/h3-4,8H,1-2,5-6,13H2.
What are the key properties of 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine?
1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine has a molecular weight of 273.24 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 103146401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).