5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

C9H9F4N5O2 — CID 103472991

IUPAC5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(COCC(F)(F)C(F)F)no2)[nH]n1
InChIInChI=1S/C9H9F4N5O2/c10-8(11)9(12,13)3-19-2-6-15-7(20-18-6)4-1-5(14)17-16-4/h1,8H,2-3H2,(H3,14,16,17)
InChIKeySADJJQSINYELQM-UHFFFAOYSA-N
MW295.20 g/mol
LogP1.46
Rot. Bonds6

About 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine

5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (PubChem CID 103472991) has the molecular formula C9H9F4N5O2 and a molecular weight of 295.20 g/mol. Its IUPAC name is 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
PubChem CID103472991
Molecular FormulaC9H9F4N5O2
Molecular Weight295.20 g/mol
Exact Mass295.07
IUPAC Name5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2nc(COCC(F)(F)C(F)F)no2)[nH]n1
InChIInChI=1S/C9H9F4N5O2/c10-8(11)9(12,13)3-19-2-6-15-7(20-18-6)4-1-5(14)17-16-4/h1,8H,2-3H2,(H3,14,16,17)
InChIKeySADJJQSINYELQM-UHFFFAOYSA-N
XLogP1.46
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine (CID 103472991) is 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is Nc1cc(-c2nc(COCC(F)(F)C(F)F)no2)[nH]n1.
What is the InChIKey of 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
The InChIKey is SADJJQSINYELQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N5O2/c10-8(11)9(12,13)3-19-2-6-15-7(20-18-6)4-1-5(14)17-16-4/h1,8H,2-3H2,(H3,14,16,17).
What are the key properties of 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine?
5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine has a molecular weight of 295.20 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 103472991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).