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

C9H10F3N5O2 — CID 103472590

IUPAC1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nc(COCC(F)(F)F)no2)c1N
InChIInChI=1S/C9H10F3N5O2/c1-17-7(13)5(2-14-17)8-15-6(16-19-8)3-18-4-9(10,11)12/h2H,3-4,13H2,1H3
InChIKeyDDUWOCOCYQNOOZ-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.13
Rot. Bonds4

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

1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (PubChem CID 103472590) has the molecular formula C9H10F3N5O2 and a molecular weight of 277.21 g/mol. Its IUPAC name is 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
PubChem CID103472590
Molecular FormulaC9H10F3N5O2
Molecular Weight277.21 g/mol
Exact Mass277.08
IUPAC Name1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nc(COCC(F)(F)F)no2)c1N
InChIInChI=1S/C9H10F3N5O2/c1-17-7(13)5(2-14-17)8-15-6(16-19-8)3-18-4-9(10,11)12/h2H,3-4,13H2,1H3
InChIKeyDDUWOCOCYQNOOZ-UHFFFAOYSA-N
XLogP1.13
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine (CID 103472590) is 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is Cn1ncc(-c2nc(COCC(F)(F)F)no2)c1N.
What is the InChIKey of 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
The InChIKey is DDUWOCOCYQNOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5O2/c1-17-7(13)5(2-14-17)8-15-6(16-19-8)3-18-4-9(10,11)12/h2H,3-4,13H2,1H3.
What are the key properties of 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine?
1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine has a molecular weight of 277.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]pyrazol-5-amine is sourced from PubChem (CID 103472590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).