4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C14H13ClF3N3O — CID 19267877

IUPAC4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C14H13ClF3N3O/c1-7-5-4-6-8(2)10(7)19-13(22)11-9(15)12(14(16,17)18)21(3)20-11/h4-6H,1-3H3,(H,19,22)
InChIKeyDLTSLDUDIVZOPT-UHFFFAOYSA-N
MW331.73 g/mol
LogP3.96
Rot. Bonds2

About 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19267877) has the molecular formula C14H13ClF3N3O and a molecular weight of 331.73 g/mol. Its IUPAC name is 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19267877
Molecular FormulaC14H13ClF3N3O
Molecular Weight331.73 g/mol
Exact Mass331.07
IUPAC Name4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl
InChIInChI=1S/C14H13ClF3N3O/c1-7-5-4-6-8(2)10(7)19-13(22)11-9(15)12(14(16,17)18)21(3)20-11/h4-6H,1-3H3,(H,19,22)
InChIKeyDLTSLDUDIVZOPT-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2,3-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267839
4-chloro-1-methyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267950
4-chloro-N-(2-fluoro-5-methylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267924
4-chloro-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267852
4-chloro-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19585980
4-chloro-1-methyl-N-(2-methyl-4-nitrophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267913
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098
4-chloro-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267862
4-chloro-N-(2,6-dichlorophenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266700
4-chloro-1-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267893
4-chloro-N-(2-methoxydibenzofuran-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 5144775
4-chloro-N-(3-hydroxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19267877) is 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cc1cccc(C)c1NC(=O)c1nn(C)c(C(F)(F)F)c1Cl.
What is the InChIKey of 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is DLTSLDUDIVZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3O/c1-7-5-4-6-8(2)10(7)19-13(22)11-9(15)12(14(16,17)18)21(3)20-11/h4-6H,1-3H3,(H,19,22).
What are the key properties of 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 331.73 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,6-dimethylphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19267877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).