5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide

C18H14Cl3N3O — CID 55607208

IUPAC5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C
InChIInChI=1S/C18H14Cl3N3O/c1-10-5-3-4-6-17(10)24-11(2)12(9-22-24)18(25)23-16-8-14(20)13(19)7-15(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyIPYVKJAQASLDMA-UHFFFAOYSA-N
MW394.69 g/mol
LogP5.70
Rot. Bonds3

About 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide

5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 55607208) has the molecular formula C18H14Cl3N3O and a molecular weight of 394.69 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID55607208
Molecular FormulaC18H14Cl3N3O
Molecular Weight394.69 g/mol
Exact Mass393.02
IUPAC Name5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C
InChIInChI=1S/C18H14Cl3N3O/c1-10-5-3-4-6-17(10)24-11(2)12(9-22-24)18(25)23-16-8-14(20)13(19)7-15(16)21/h3-9H,1-2H3,(H,23,25)
InChIKeyIPYVKJAQASLDMA-UHFFFAOYSA-N
XLogP5.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.69
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chlorophenyl)-5-methyl-N-(2,4,6-trimethylphenyl)pyrazole-4-carboxamide
CID 99122312
methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
CID 78860098
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39821356
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55887741
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55605099
N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 52671803

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide (CID 55607208) is 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1C.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is IPYVKJAQASLDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O/c1-10-5-3-4-6-17(10)24-11(2)12(9-22-24)18(25)23-16-8-14(20)13(19)7-15(16)21/h3-9H,1-2H3,(H,23,25).
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide?
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 394.69 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).