N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C10H14F3N3O2 — CID 2257667

IUPACN-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(10(11,12)13)15-16(7)6-9(17)14-3-4-18-2/h5H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyBWVQUXBPGPGFOS-UHFFFAOYSA-N
MW265.23 g/mol
LogP0.97
Rot. Bonds5

About N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 2257667) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID2257667
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC NameN-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)cc1C
InChIInChI=1S/C10H14F3N3O2/c1-7-5-8(10(11,12)13)15-16(7)6-9(17)14-3-4-18-2/h5H,3-4,6H2,1-2H3,(H,14,17)
InChIKeyBWVQUXBPGPGFOS-UHFFFAOYSA-N
XLogP0.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 2257667) is N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COCCNC(=O)Cn1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is BWVQUXBPGPGFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-7-5-8(10(11,12)13)15-16(7)6-9(17)14-3-4-18-2/h5H,3-4,6H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 265.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 2257667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).