2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide

C19H14Cl2F3N3O — CID 164612300

IUPAC2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H14Cl2F3N3O/c20-13-5-3-6-14(9-13)27-15(10-17(26-27)19(22,23)24)11-25-18(28)8-12-4-1-2-7-16(12)21/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyUNGSXKDAJUIMDR-UHFFFAOYSA-N
MW428.24 g/mol
LogP5.06
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide

2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide (PubChem CID 164612300) has the molecular formula C19H14Cl2F3N3O and a molecular weight of 428.24 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
PubChem CID164612300
Molecular FormulaC19H14Cl2F3N3O
Molecular Weight428.24 g/mol
Exact Mass427.05
IUPAC Name2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
SMILESO=C(Cc1ccccc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H14Cl2F3N3O/c20-13-5-3-6-14(9-13)27-15(10-17(26-27)19(22,23)24)11-25-18(28)8-12-4-1-2-7-16(12)21/h1-7,9-10H,8,11H2,(H,25,28)
InChIKeyUNGSXKDAJUIMDR-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.24
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49800490
N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804502
(2S)-N-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644203
(2S)-N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 66644325
N-[[2-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49800487
(2S)-N-[[2-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49800489
N-[[3-tert-butyl-1-(3-chloro-4-fluorophenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49804798
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
5-(4-Chlorophenyl)-4-methyl-1-[4-(trifluoromethyl)phenyl]-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (12m)
CID 129010782
(2S)-N-[[3-tert-butyl-1-(3-chloro-4-fluorophenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 145972802
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-4-chlorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide (CID 164612300) is 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide is O=C(Cc1ccccc1Cl)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide?
The InChIKey is UNGSXKDAJUIMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F3N3O/c20-13-5-3-6-14(9-13)27-15(10-17(26-27)19(22,23)24)11-25-18(28)8-12-4-1-2-7-16(12)21/h1-7,9-10H,8,11H2,(H,25,28).
What are the key properties of 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide has a molecular weight of 428.24 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide is sourced from PubChem (CID 164612300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).