2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

C14H20F3N3O — CID 90588552

IUPAC2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-18-13(21)10-11-4-2-1-3-5-11/h6,8,11H,1-5,7,9-10H2,(H,18,21)
InChIKeyMLBFKSBQHDZONG-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.99
Rot. Bonds5

About 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide

2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 90588552) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
PubChem CID90588552
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-18-13(21)10-11-4-2-1-3-5-11/h6,8,11H,1-5,7,9-10H2,(H,18,21)
InChIKeyMLBFKSBQHDZONG-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide (CID 90588552) is 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is O=C(CC1CCCCC1)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is MLBFKSBQHDZONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c15-14(16,17)12-6-8-20(19-12)9-7-18-13(21)10-11-4-2-1-3-5-11/h6,8,11H,1-5,7,9-10H2,(H,18,21).
What are the key properties of 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide?
2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 303.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 90588552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).