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

C11H16F3N3O2 — CID 79291704

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,19)7-16(3)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5,19H,6-7H2,1-3H3
InChIKeyQYLJGUWNQGCFFW-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.13
Rot. Bonds4

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

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 79291704) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID79291704
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCN(CC(C)(C)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-10(2,19)7-16(3)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5,19H,6-7H2,1-3H3
InChIKeyQYLJGUWNQGCFFW-UHFFFAOYSA-N
XLogP1.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 79291704) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CN(CC(C)(C)O)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is QYLJGUWNQGCFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-10(2,19)7-16(3)9(18)6-17-5-4-8(15-17)11(12,13)14/h4-5,19H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 279.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 79291704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).