N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide

C20H17ClF3N3O2 — CID 146095759

IUPACN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H17ClF3N3O2/c1-13-9-18(26-27(13)17-8-3-2-7-16(17)21)25-19(28)11-14-5-4-6-15(10-14)29-12-20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28)
InChIKeyZKPIWCSKHOYIJX-UHFFFAOYSA-N
MW423.82 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide

N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 146095759) has the molecular formula C20H17ClF3N3O2 and a molecular weight of 423.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID146095759
Molecular FormulaC20H17ClF3N3O2
Molecular Weight423.82 g/mol
Exact Mass423.10
IUPAC NameN-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESCc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C20H17ClF3N3O2/c1-13-9-18(26-27(13)17-8-3-2-7-16(17)21)25-19(28)11-14-5-4-6-15(10-14)29-12-20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28)
InChIKeyZKPIWCSKHOYIJX-UHFFFAOYSA-N
XLogP4.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[1-(2-chlorophenyl)-5-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazol-3-yl]-5-hydroxypyrrolidine-3-carboxamide
CID 162563462
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 57458282
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 59240395
4-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoylamino]butanoic acid
CID 122089041
1-[3-[[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methoxy]phenyl]ethanone
CID 59240080
N-(2-methylpyrimidin-4-yl)-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 67743465
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-(2,6-dimethylphenyl)acetamide
CID 57458370
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 19335829
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-[3-(2,2,2-trifluoroethoxy)phenyl]methanamine
CID 78895354
methyl 2-amino-3-[3-(2,2,2-trifluoroethoxy)phenyl]propanoate
CID 138985988
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 38828534
N-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 46107900

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 146095759) is N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide is Cc1cc(NC(=O)Cc2cccc(OCC(F)(F)F)c2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is ZKPIWCSKHOYIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N3O2/c1-13-9-18(26-27(13)17-8-3-2-7-16(17)21)25-19(28)11-14-5-4-6-15(10-14)29-12-20(22,23)24/h2-10H,11-12H2,1H3,(H,25,26,28).
What are the key properties of N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide?
N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 423.82 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 146095759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).