2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

C16H18F3N3O2 — CID 86990308

IUPAC2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCCCOCC(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-24-10-2-7-20-15(23)11-13-3-5-14(6-4-13)22-9-1-8-21-22/h1,3-6,8-9H,2,7,10-12H2,(H,20,23)
InChIKeyMFQZFQYOPZDRGZ-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.50
Rot. Bonds8

About 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide

2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (PubChem CID 86990308) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
PubChem CID86990308
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide
SMILESO=C(Cc1ccc(-n2cccn2)cc1)NCCCOCC(F)(F)F
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-24-10-2-7-20-15(23)11-13-3-5-14(6-4-13)22-9-1-8-21-22/h1,3-6,8-9H,2,7,10-12H2,(H,20,23)
InChIKeyMFQZFQYOPZDRGZ-UHFFFAOYSA-N
XLogP2.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.50
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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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 119392944
2,2-dimethyl-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 131962236
1-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712652
N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-2-(4-pyrazol-1-ylphenyl)acetamide
CID 51948680
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
2-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111856425
3-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 115573877
2-(2-chlorophenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525810
N-[(3S)-1,1-dioxothiolan-3-yl]-3-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanamide
CID 51949005
2-methyl-1-[2-(4-pyrazol-1-ylphenyl)ethyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111857978
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The IUPAC name of 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide (CID 86990308) is 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide.
What is the SMILES notation for 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The canonical SMILES for 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is O=C(Cc1ccc(-n2cccn2)cc1)NCCCOCC(F)(F)F.
What is the InChIKey of 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
The InChIKey is MFQZFQYOPZDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)12-24-10-2-7-20-15(23)11-13-3-5-14(6-4-13)22-9-1-8-21-22/h1,3-6,8-9H,2,7,10-12H2,(H,20,23).
What are the key properties of 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide?
2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrazol-1-ylphenyl)-N-[3-(2,2,2-trifluoroethoxy)propyl]acetamide is sourced from PubChem (CID 86990308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).