1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone

C19H13Cl2F3N2O — CID 159485481

IUPAC1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
SMILESO=C(Cc1ccn(Cc2ccccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2F3N2O/c20-15-6-3-7-16(21)18(15)17(27)10-13-8-9-26(25-13)11-12-4-1-2-5-14(12)19(22,23)24/h1-9H,10-11H2
InChIKeyLXNHXIAYVDCKSE-UHFFFAOYSA-N
MW413.23 g/mol
LogP5.68
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone

1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone (PubChem CID 159485481) has the molecular formula C19H13Cl2F3N2O and a molecular weight of 413.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
PubChem CID159485481
Molecular FormulaC19H13Cl2F3N2O
Molecular Weight413.23 g/mol
Exact Mass412.04
IUPAC Name1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
SMILESO=C(Cc1ccn(Cc2ccccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H13Cl2F3N2O/c20-15-6-3-7-16(21)18(15)17(27)10-13-8-9-26(25-13)11-12-4-1-2-5-14(12)19(22,23)24/h1-9H,10-11H2
InChIKeyLXNHXIAYVDCKSE-UHFFFAOYSA-N
XLogP5.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.23
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dichlorophenyl)-2-[1-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 159320562
1-(2-chlorophenyl)-2-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone
CID 147334550
N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]acetamide
CID 68643513
2,6-dichloro-N-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 59547908
[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-3-yl]methanamine
CID 102861719
2-(1-butan-2-ylpyrazol-3-yl)-1-(2-chloro-6-fluorophenyl)ethanone
CID 114975584
N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
CID 59547949
1-[(4-chlorophenyl)methyl]-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine;oxalic acid
CID 126476503
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-2-amine
CID 107310253
1-(2-chlorophenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 51046194
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone (CID 159485481) is 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone is O=C(Cc1ccn(Cc2ccccc2C(F)(F)F)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone?
The InChIKey is LXNHXIAYVDCKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O/c20-15-6-3-7-16(21)18(15)17(27)10-13-8-9-26(25-13)11-12-4-1-2-5-14(12)19(22,23)24/h1-9H,10-11H2.
What are the key properties of 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone?
1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone has a molecular weight of 413.23 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 159485481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).