N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C16H18F3N3O2 — CID 110006368

IUPACN-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H18F3N3O2/c1-2-11-4-3-5-13(8-11)20-14(24)10-22-9-12(6-7-23)15(21-22)16(17,18)19/h3-5,8-9,23H,2,6-7,10H2,1H3,(H,20,24)
InChIKeyOPATZTHGMWEDGO-UHFFFAOYSA-N
MW341.33 g/mol
LogP2.64
Rot. Bonds6

About N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 110006368) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID110006368
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)c1
InChIInChI=1S/C16H18F3N3O2/c1-2-11-4-3-5-13(8-11)20-14(24)10-22-9-12(6-7-23)15(21-22)16(17,18)19/h3-5,8-9,23H,2,6-7,10H2,1H3,(H,20,24)
InChIKeyOPATZTHGMWEDGO-UHFFFAOYSA-N
XLogP2.64
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-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-(2,4-difluorophenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 110006390
2-[4-(3-hydroxypropyl)-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 75399903
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
N-[3-(methoxymethyl)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 33288169
N-(3-ethylphenyl)-2-[4-(1-hydroxyethyl)triazol-1-yl]acetamide
CID 80742856
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 5184525
2-[1-[(2,6-difluorophenyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 110019055
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951377
2-[4-(aminomethyl)phenyl]-N-(3-ethylphenyl)acetamide
CID 63589585
N-[3-(methylcarbamoylamino)phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 36825341
N-(3-ethylphenyl)-2-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]acetamide
CID 20890916

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 110006368) is N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCc1cccc(NC(=O)Cn2cc(CCO)c(C(F)(F)F)n2)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is OPATZTHGMWEDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-2-11-4-3-5-13(8-11)20-14(24)10-22-9-12(6-7-23)15(21-22)16(17,18)19/h3-5,8-9,23H,2,6-7,10H2,1H3,(H,20,24).
What are the key properties of N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 341.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[4-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 110006368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).