2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

C23H20ClF3N4O3 — CID 59240006

IUPAC2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(CCNC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)c[nH]c2c1
InChIInChI=1S/C23H20ClF3N4O3/c1-33-15-6-7-16-14(12-29-18(16)10-15)8-9-28-21(32)13-34-22-11-20(23(25,26)27)30-31(22)19-5-3-2-4-17(19)24/h2-7,10-12,29H,8-9,13H2,1H3,(H,28,32)
InChIKeyFJFGDRNHFCTJIO-UHFFFAOYSA-N
MW492.89 g/mol
LogP4.77
Rot. Bonds8

About 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 59240006) has the molecular formula C23H20ClF3N4O3 and a molecular weight of 492.89 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID59240006
Molecular FormulaC23H20ClF3N4O3
Molecular Weight492.89 g/mol
Exact Mass492.12
IUPAC Name2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2c(CCNC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)c[nH]c2c1
InChIInChI=1S/C23H20ClF3N4O3/c1-33-15-6-7-16-14(12-29-18(16)10-15)8-9-28-21(32)13-34-22-11-20(23(25,26)27)30-31(22)19-5-3-2-4-17(19)24/h2-7,10-12,29H,8-9,13H2,1H3,(H,28,32)
InChIKeyFJFGDRNHFCTJIO-UHFFFAOYSA-N
XLogP4.77
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.89
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

US20230391786, Example 71
CID 170427890
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2,2-difluoro-2-(4-methylphenoxy)acetamide
CID 166631580
N-{[5-chloro-7-(1H-indol-5-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 45167024
2-[6-(4-chloro-2-phenyl-pyrazol-3-yl)hexoxy]-9H-carbazole
CID 5272789
N-benzyl-N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
CID 10548801
N-[2-[(3-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoro-N-(4-phenylbutyl)acetamide
CID 10741689
Ethyl 2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxy-2-(propanoylamino)acetate
CID 19389551
Ethyl 2-[2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoylamino]acetate
CID 54116994
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 57458302
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-(1H-indol-2-ylmethyl)acetamide
CID 57458315
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[2-(2-methyl-1-phenylindol-3-yl)ethyl]acetamide
CID 57458324
2-[2-(2-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]oxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 57458327

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 59240006) is 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2c(CCNC(=O)COc3cc(C(F)(F)F)nn3-c3ccccc3Cl)c[nH]c2c1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is FJFGDRNHFCTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N4O3/c1-33-15-6-7-16-14(12-29-18(16)10-15)8-9-28-21(32)13-34-22-11-20(23(25,26)27)30-31(22)19-5-3-2-4-17(19)24/h2-7,10-12,29H,8-9,13H2,1H3,(H,28,32).
What are the key properties of 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 492.89 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 59240006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).