(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C8H8F3N5O — CID 43559938

IUPAC(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCn1cc(C(N)c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H8F3N5O/c1-16-3-4(2-13-16)5(12)6-14-7(17-15-6)8(9,10)11/h2-3,5H,12H2,1H3
InChIKeyRWUFYAZCNURMJT-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.87
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 43559938) has the molecular formula C8H8F3N5O and a molecular weight of 247.18 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID43559938
Molecular FormulaC8H8F3N5O
Molecular Weight247.18 g/mol
Exact Mass247.07
IUPAC Name(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCn1cc(C(N)c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C8H8F3N5O/c1-16-3-4(2-13-16)5(12)6-14-7(17-15-6)8(9,10)11/h2-3,5H,12H2,1H3
InChIKeyRWUFYAZCNURMJT-UHFFFAOYSA-N
XLogP0.87
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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CID 72141415
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CID 121552417
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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 43559938) is (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is Cn1cc(C(N)c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is RWUFYAZCNURMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5O/c1-16-3-4(2-13-16)5(12)6-14-7(17-15-6)8(9,10)11/h2-3,5H,12H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 247.18 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 43559938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).