5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

C11H8Cl3N3O — CID 2743116

IUPAC5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-5-2-9(11(15)18)16-17(5)10-7(13)3-6(12)4-8(10)14/h2-4H,1H3,(H2,15,18)
InChIKeyYMESRCOQWUEEEP-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.24
Rot. Bonds2

About 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide

5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (PubChem CID 2743116) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
PubChem CID2743116
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H8Cl3N3O/c1-5-2-9(11(15)18)16-17(5)10-7(13)3-6(12)4-8(10)14/h2-4H,1H3,(H2,15,18)
InChIKeyYMESRCOQWUEEEP-UHFFFAOYSA-N
XLogP3.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
N'5-(2,6-dichlorophenyl)-1-(tert-butyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 2744584
N-(4-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 6625210
N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 892997
1-(2,4-dichlorophenyl)-5-ethyl-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10571865
5-Methylpyrazole-3-carboxylic acid (2-chloro-4-fluorophenyl)amide
CID 86232780
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 2726978
4-chloro-N-(4-chlorophenyl)-2-methyl-5-propylpyrazole-3-carboxamide
CID 850811
5-Methyl-1-phenyl-1H-pyrazole-3-carboxylic acid (3,5-dichloro-phenyl)-amide
CID 44313496
N-(2-chlorophenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861271
N-(3,5-dichlorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 16953134
2-(4-chlorophenyl)-3,4,6-trimethyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
CID 28374151

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (CID 2743116) is 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is YMESRCOQWUEEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c1-5-2-9(11(15)18)16-17(5)10-7(13)3-6(12)4-8(10)14/h2-4H,1H3,(H2,15,18).
What are the key properties of 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 304.56 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 2743116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).