1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H11ClF3N3O — CID 42817677

IUPAC1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-7-18-20(11(10)13(15,16)17)9-5-3-4-8(14)6-9/h3-7H,1-2H3
InChIKeySYIKZWJCCZPOEG-UHFFFAOYSA-N
MW317.70 g/mol
LogP3.25
Rot. Bonds2

About 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 42817677) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID42817677
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F
InChIInChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-7-18-20(11(10)13(15,16)17)9-5-3-4-8(14)6-9/h3-7H,1-2H3
InChIKeySYIKZWJCCZPOEG-UHFFFAOYSA-N
XLogP3.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 78854945
1-(3-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33123277
1-(3-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 32535150
1-(3-chlorophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55899479
1-(3-chlorophenyl)-N-[2-(3-chlorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46642923
1-(3-chlorophenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33207160
1-(3-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 33103491
1-(3-chlorophenyl)-N-(4-iodophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46635513
1-(3-chlorophenyl)-N'-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 33199188
1-(3-chlorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 52817908
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 47837666
[1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78828140

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 42817677) is 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is CN(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SYIKZWJCCZPOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-19(2)12(21)10-7-18-20(11(10)13(15,16)17)9-5-3-4-8(14)6-9/h3-7H,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 317.70 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-dimethyl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42817677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).