N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide

C12H7Cl3F3N3O — CID 19396848

IUPACN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H7Cl3F3N3O/c13-7-2-1-6(8(14)3-7)4-21-5-9(15)10(20-21)19-11(22)12(16,17)18/h1-3,5H,4H2,(H,19,20,22)
InChIKeyDAUOUUMQUSGXEH-UHFFFAOYSA-N
MW372.56 g/mol
LogP4.39
Rot. Bonds3

About N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 19396848) has the molecular formula C12H7Cl3F3N3O and a molecular weight of 372.56 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID19396848
Molecular FormulaC12H7Cl3F3N3O
Molecular Weight372.56 g/mol
Exact Mass370.96
IUPAC NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)C(F)(F)F
InChIInChI=1S/C12H7Cl3F3N3O/c13-7-2-1-6(8(14)3-7)4-21-5-9(15)10(20-21)19-11(22)12(16,17)18/h1-3,5H,4H2,(H,19,20,22)
InChIKeyDAUOUUMQUSGXEH-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19392822
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524964
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262561
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268594
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539586
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19396864
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19287096
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532561
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263971
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea
CID 2211450
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-propylthiourea
CID 17266174

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 19396848) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)C(F)(F)F.
What is the InChIKey of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is DAUOUUMQUSGXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F3N3O/c13-7-2-1-6(8(14)3-7)4-21-5-9(15)10(20-21)19-11(22)12(16,17)18/h1-3,5H,4H2,(H,19,20,22).
What are the key properties of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 372.56 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19396848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).