4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide

C12H11Cl3N4O — CID 67267294

IUPAC4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)c(C)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4O/c1-5-9(16)11(12(20)17-2)19(18-5)10-7(14)3-6(13)4-8(10)15/h3-4H,16H2,1-2H3,(H,17,20)
InChIKeyGYAIXBYWODYALN-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.08
Rot. Bonds2

About 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide

4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide (PubChem CID 67267294) has the molecular formula C12H11Cl3N4O and a molecular weight of 333.61 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
PubChem CID67267294
Molecular FormulaC12H11Cl3N4O
Molecular Weight333.61 g/mol
Exact Mass332.00
IUPAC Name4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1c(N)c(C)nn1-c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C12H11Cl3N4O/c1-5-9(16)11(12(20)17-2)19(18-5)10-7(14)3-6(13)4-8(10)15/h3-4H,16H2,1-2H3,(H,17,20)
InChIKeyGYAIXBYWODYALN-UHFFFAOYSA-N
XLogP3.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide (CID 67267294) is 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide is CNC(=O)c1c(N)c(C)nn1-c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The InChIKey is GYAIXBYWODYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O/c1-5-9(16)11(12(20)17-2)19(18-5)10-7(14)3-6(13)4-8(10)15/h3-4H,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide has a molecular weight of 333.61 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-1-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 67267294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).