2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

C15H18F3N5O2 — CID 35527599

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H18F3N5O2/c1-3-22(7-11-9(2)20-25-21-11)14(24)8-23-12(10-4-5-10)6-13(19-23)15(16,17)18/h6,10H,3-5,7-8H2,1-2H3
InChIKeyIJHKPNBBYWPEIM-UHFFFAOYSA-N
MW357.34 g/mol
LogP2.52
Rot. Bonds6

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (PubChem CID 35527599) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
PubChem CID35527599
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide
SMILESCCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H18F3N5O2/c1-3-22(7-11-9(2)20-25-21-11)14(24)8-23-12(10-4-5-10)6-13(19-23)15(16,17)18/h6,10H,3-5,7-8H2,1-2H3
InChIKeyIJHKPNBBYWPEIM-UHFFFAOYSA-N
XLogP2.52
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide (CID 35527599) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is CCN(Cc1nonc1C)C(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
The InChIKey is IJHKPNBBYWPEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-3-22(7-11-9(2)20-25-21-11)14(24)8-23-12(10-4-5-10)6-13(19-23)15(16,17)18/h6,10H,3-5,7-8H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide has a molecular weight of 357.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-ethyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]acetamide is sourced from PubChem (CID 35527599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).