N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide

C19H13ClF5N3O — CID 164614538

IUPACN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H13ClF5N3O/c20-12-2-1-3-14(7-12)28-15(9-17(27-28)19(23,24)25)10-26-18(29)6-11-4-5-13(21)8-16(11)22/h1-5,7-9H,6,10H2,(H,26,29)
InChIKeyRGULETYTXQJNGH-UHFFFAOYSA-N
MW429.78 g/mol
LogP4.68
Rot. Bonds5

About N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide

N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide (PubChem CID 164614538) has the molecular formula C19H13ClF5N3O and a molecular weight of 429.78 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide
PubChem CID164614538
Molecular FormulaC19H13ClF5N3O
Molecular Weight429.78 g/mol
Exact Mass429.07
IUPAC NameN-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1
InChIInChI=1S/C19H13ClF5N3O/c20-12-2-1-3-14(7-12)28-15(9-17(27-28)19(23,24)25)10-26-18(29)6-11-4-5-13(21)8-16(11)22/h1-5,7-9H,6,10H2,(H,26,29)
InChIKeyRGULETYTXQJNGH-UHFFFAOYSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.78
LogP ≤ 54.68
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
CID 2740687
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide (CID 164614538) is N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide is O=C(Cc1ccc(F)cc1F)NCc1cc(C(F)(F)F)nn1-c1cccc(Cl)c1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide?
The InChIKey is RGULETYTXQJNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF5N3O/c20-12-2-1-3-14(7-12)28-15(9-17(27-28)19(23,24)25)10-26-18(29)6-11-4-5-13(21)8-16(11)22/h1-5,7-9H,6,10H2,(H,26,29).
What are the key properties of N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide?
N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide has a molecular weight of 429.78 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 164614538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).