N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H18F3N3O2 — CID 103712990

IUPACN-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCC(C)(O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-3-5-11(2,20)8-16-10(19)7-18-6-4-9(17-18)12(13,14)15/h4,6,20H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeySFOWXYIHVXZOEM-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.57
Rot. Bonds6

About N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 103712990) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID103712990
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCC(C)(O)CNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-3-5-11(2,20)8-16-10(19)7-18-6-4-9(17-18)12(13,14)15/h4,6,20H,3,5,7-8H2,1-2H3,(H,16,19)
InChIKeySFOWXYIHVXZOEM-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 103712990) is N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCC(C)(O)CNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is SFOWXYIHVXZOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-3-5-11(2,20)8-16-10(19)7-18-6-4-9(17-18)12(13,14)15/h4,6,20H,3,5,7-8H2,1-2H3,(H,16,19).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 293.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 103712990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).