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

C11H6Cl2F3N3O — CID 57310456

IUPACN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)19-4-3-9(18-19)17-10(20)11(14,15)16/h1-5H,(H,17,18,20)
InChIKeyISMGSWMDOARGKQ-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.68
Rot. Bonds2

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

N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 57310456) has the molecular formula C11H6Cl2F3N3O and a molecular weight of 324.09 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID57310456
Molecular FormulaC11H6Cl2F3N3O
Molecular Weight324.09 g/mol
Exact Mass322.98
IUPAC NameN-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(F)(F)F
InChIInChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)19-4-3-9(18-19)17-10(20)11(14,15)16/h1-5H,(H,17,18,20)
InChIKeyISMGSWMDOARGKQ-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-N'-(1-methyl-1H-pyrazol-3-yl)urea
CID 2807713
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
1-(2,3-Dichlorophenyl)-3-(2-methylpyrazol-3-yl)urea
CID 2808879
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 2809205
2-cyano-N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]acetamide
CID 155568071
1-(3,4-Dichlorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
CID 155527570
1-(3,4-Dichlorophenyl)-1H-pyrazol-3-amine
CID 23464286
N-(3-Chloro-4-fluorophenyl)-N'-(1-methyl-1H-pyrazol-3-YL)urea
CID 970878
N-(2,3-dichlorophenyl)-2-[[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]amino]acetamide
CID 75430742
N-(3,4-dichlorophenyl)-2-(7-oxopyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 121567620

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide (CID 57310456) is N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1ccn(-c2ccc(Cl)c(Cl)c2)n1)C(F)(F)F.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ISMGSWMDOARGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2F3N3O/c12-7-2-1-6(5-8(7)13)19-4-3-9(18-19)17-10(20)11(14,15)16/h1-5H,(H,17,18,20).
What are the key properties of N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide?
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 324.09 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57310456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).