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

C11H6Cl3N5O — CID 11381951

IUPAC5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1c(C(N)=O)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C11H6Cl3N5O/c12-4-1-6(13)9(7(14)2-4)19-10(16)5(3-15)8(18-19)11(17)20/h1-2H,16H2,(H2,17,20)
InChIKeyPFNMXTHYKXYMTH-UHFFFAOYSA-N
MW330.56 g/mol
LogP2.39
Rot. Bonds2

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

5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (PubChem CID 11381951) has the molecular formula C11H6Cl3N5O and a molecular weight of 330.56 g/mol. Its IUPAC name is 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
PubChem CID11381951
Molecular FormulaC11H6Cl3N5O
Molecular Weight330.56 g/mol
Exact Mass328.96
IUPAC Name5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide
SMILESN#Cc1c(C(N)=O)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N
InChIInChI=1S/C11H6Cl3N5O/c12-4-1-6(13)9(7(14)2-4)19-10(16)5(3-15)8(18-19)11(17)20/h1-2H,16H2,(H2,17,20)
InChIKeyPFNMXTHYKXYMTH-UHFFFAOYSA-N
XLogP2.39
TPSA110.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide (CID 11381951) is 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is N#Cc1c(C(N)=O)nn(-c2c(Cl)cc(Cl)cc2Cl)c1N.
What is the InChIKey of 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
The InChIKey is PFNMXTHYKXYMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3N5O/c12-4-1-6(13)9(7(14)2-4)19-10(16)5(3-15)8(18-19)11(17)20/h1-2H,16H2,(H2,17,20).
What are the key properties of 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide?
5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide has a molecular weight of 330.56 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 11381951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).