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

C10H11F4N5O2 — CID 103473021

IUPAC1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nc(COCC(F)(F)C(F)F)no2)c1N
InChIInChI=1S/C10H11F4N5O2/c1-19-7(15)5(2-16-19)8-17-6(18-21-8)3-20-4-10(13,14)9(11)12/h2,9H,3-4,15H2,1H3
InChIKeyJFEKONDCQVYLGJ-UHFFFAOYSA-N
MW309.22 g/mol
LogP1.47
Rot. Bonds6

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

1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (PubChem CID 103473021) has the molecular formula C10H11F4N5O2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
PubChem CID103473021
Molecular FormulaC10H11F4N5O2
Molecular Weight309.22 g/mol
Exact Mass309.08
IUPAC Name1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nc(COCC(F)(F)C(F)F)no2)c1N
InChIInChI=1S/C10H11F4N5O2/c1-19-7(15)5(2-16-19)8-17-6(18-21-8)3-20-4-10(13,14)9(11)12/h2,9H,3-4,15H2,1H3
InChIKeyJFEKONDCQVYLGJ-UHFFFAOYSA-N
XLogP1.47
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (CID 103473021) is 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is Cn1ncc(-c2nc(COCC(F)(F)C(F)F)no2)c1N.
What is the InChIKey of 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The InChIKey is JFEKONDCQVYLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N5O2/c1-19-7(15)5(2-16-19)8-17-6(18-21-8)3-20-4-10(13,14)9(11)12/h2,9H,3-4,15H2,1H3.
What are the key properties of 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine has a molecular weight of 309.22 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 103473021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).