2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

C16H24F3N3O2 — CID 138036265

IUPAC2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CCCC1
InChIInChI=1S/C16H24F3N3O2/c1-11-13(12(2)22(21-11)9-16(17,18)19)8-14(23)20-15(10-24-3)6-4-5-7-15/h4-10H2,1-3H3,(H,20,23)
InChIKeyXFOKNDPZQXGPET-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.68
Rot. Bonds6

About 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (PubChem CID 138036265) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
PubChem CID138036265
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CCCC1
InChIInChI=1S/C16H24F3N3O2/c1-11-13(12(2)22(21-11)9-16(17,18)19)8-14(23)20-15(10-24-3)6-4-5-7-15/h4-10H2,1-3H3,(H,20,23)
InChIKeyXFOKNDPZQXGPET-UHFFFAOYSA-N
XLogP2.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (CID 138036265) is 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is COCC1(NC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CCCC1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The InChIKey is XFOKNDPZQXGPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c1-11-13(12(2)22(21-11)9-16(17,18)19)8-14(23)20-15(10-24-3)6-4-5-7-15/h4-10H2,1-3H3,(H,20,23).
What are the key properties of 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 138036265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).