N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C11H14F3N3O2 — CID 115776316

IUPACN-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC=CCN(CCO)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-2-4-16(6-7-18)10(19)8-17-5-3-9(15-17)11(12,13)14/h2-3,5,18H,1,4,6-8H2
InChIKeyAAFJOSIXYQYAKX-UHFFFAOYSA-N
MW277.25 g/mol
LogP0.91
Rot. Bonds6

About N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 115776316) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID115776316
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC=CCN(CCO)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3O2/c1-2-4-16(6-7-18)10(19)8-17-5-3-9(15-17)11(12,13)14/h2-3,5,18H,1,4,6-8H2
InChIKeyAAFJOSIXYQYAKX-UHFFFAOYSA-N
XLogP0.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 113466073
N,N-bis(furan-2-ylmethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 55541052
2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2809216
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
N-(2-aminoethyl)-N-(2-phenylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide;hydrochloride
CID 120884403
2-[cyclopropylmethyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
CID 43655345
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 79291704
N-benzyl-N-(2-methoxyethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 134028338
N-benzyl-N-[(2S)-2-hydroxypropyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 95778125
1-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyrazole
CID 116621367
2-(3-aminopyrazol-1-yl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62102871
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 115776316) is N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is C=CCN(CCO)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AAFJOSIXYQYAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-2-4-16(6-7-18)10(19)8-17-5-3-9(15-17)11(12,13)14/h2-3,5,18H,1,4,6-8H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 277.25 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 115776316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).