N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide

C16H19F3N4O2 — CID 49087528

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCN(C)CCn1cc(NC(=O)COc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C16H19F3N4O2/c1-22(2)7-8-23-10-12(9-20-23)21-15(24)11-25-14-6-4-3-5-13(14)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)
InChIKeyYSLSVPUGELUTBX-UHFFFAOYSA-N
MW356.35 g/mol
LogP2.48
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 49087528) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID49087528
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESCN(C)CCn1cc(NC(=O)COc2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C16H19F3N4O2/c1-22(2)7-8-23-10-12(9-20-23)21-15(24)11-25-14-6-4-3-5-13(14)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24)
InChIKeyYSLSVPUGELUTBX-UHFFFAOYSA-N
XLogP2.48
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]acetamide
CID 49088411
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]butanediamide
CID 95744217
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(2-fluorophenyl)-2-methylpropanamide
CID 60616207
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
N,N-diethyl-4-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 46686486
N-(4-hydroxyphenyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 164545151
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494
N-[2-[(dimethylamino)methyl]phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 38435524
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-3-indazol-1-ylpropanamide
CID 95744349
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 39088271
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 46686572

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 49087528) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide is CN(C)CCn1cc(NC(=O)COc2ccccc2C(F)(F)F)cn1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YSLSVPUGELUTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-22(2)7-8-23-10-12(9-20-23)21-15(24)11-25-14-6-4-3-5-13(14)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,24).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 356.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 49087528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).