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

C10H12F3N3O — CID 113466073

IUPACN-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC=CCCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-2-3-5-14-9(17)7-16-6-4-8(15-16)10(11,12)13/h2,4,6H,1,3,5,7H2,(H,14,17)
InChIKeyXQPYCQYTLHTJAK-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.59
Rot. Bonds5

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

N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 113466073) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID113466073
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESC=CCCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3O/c1-2-3-5-14-9(17)7-16-6-4-8(15-16)10(11,12)13/h2,4,6H,1,3,5,7H2,(H,14,17)
InChIKeyXQPYCQYTLHTJAK-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530835
N-(2-methylpropyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530800
N-(3-methyl-2-propan-2-ylbutyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 102914804
ethyl 2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetate
CID 60812044
N-[2-(4-nitroanilino)ethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9308901
2-[4-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500830
2-chloro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]acetamide
CID 166407431
3-methyl-2-[[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]methyl]butanoic acid
CID 65220362
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530879
1-[3-oxo-3-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethylamino]propyl]pyrazole-4-carboxylic acid
CID 19483231
N-(2,2,2-trifluoroethoxy)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 81341056
N-(2,3,4,5,6-pentafluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530808

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 113466073) is N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is C=CCCNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is XQPYCQYTLHTJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-3-5-14-9(17)7-16-6-4-8(15-16)10(11,12)13/h2,4,6H,1,3,5,7H2,(H,14,17).
What are the key properties of N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 247.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 113466073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).