acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine

C16H24F3N7O3 — CID 142305383

IUPACacetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine
SMILESC1CCNCC1.CC(N)=O.Cn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O2.C5H11N.C2H5NO/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6;1-2-4-6-5-3-1;1-2(3)4/h3-4H,2H2,1H3,(H,13,18);6H,1-5H2;1H3,(H2,3,4)
InChIKeyKZEQURMHRWWOHE-UHFFFAOYSA-N
MW419.41 g/mol
LogP1.00
Rot. Bonds3

About acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine

acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine (PubChem CID 142305383) has the molecular formula C16H24F3N7O3 and a molecular weight of 419.41 g/mol. Its IUPAC name is acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine.

Molecular Properties

Compound Nameacetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine
PubChem CID142305383
Molecular FormulaC16H24F3N7O3
Molecular Weight419.41 g/mol
Exact Mass419.19
IUPAC Nameacetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine
SMILESC1CCNCC1.CC(N)=O.Cn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N5O2.C5H11N.C2H5NO/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6;1-2-4-6-5-3-1;1-2(3)4/h3-4H,2H2,1H3,(H,13,18);6H,1-5H2;1H3,(H2,3,4)
InChIKeyKZEQURMHRWWOHE-UHFFFAOYSA-N
XLogP1.00
TPSA140.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.41
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine?
The IUPAC name of acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine (CID 142305383) is acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine.
What is the SMILES notation for acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine?
The canonical SMILES for acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine is C1CCNCC1.CC(N)=O.Cn1cc(C(=O)NCc2ncno2)c(C(F)(F)F)n1.
What is the InChIKey of acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine?
The InChIKey is KZEQURMHRWWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O2.C5H11N.C2H5NO/c1-17-3-5(7(16-17)9(10,11)12)8(18)13-2-6-14-4-15-19-6;1-2-4-6-5-3-1;1-2(3)4/h3-4H,2H2,1H3,(H,13,18);6H,1-5H2;1H3,(H2,3,4).
What are the key properties of acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine?
acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine has a molecular weight of 419.41 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1-methyl-N-(1,2,4-oxadiazol-5-ylmethyl)-3-(trifluoromethyl)pyrazole-4-carboxamide;piperidine is sourced from PubChem (CID 142305383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).