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

C12H11Cl3N4O — CID 11256086

IUPAC5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H11Cl3N4O/c1-2-8-9(12(17)20)11(16)19(18-8)10-6(14)3-5(13)4-7(10)15/h3-4H,2,16H2,1H3,(H2,17,20)
InChIKeyICARZNPMUNEDAI-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.08
Rot. Bonds3

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

5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 11256086) has the molecular formula C12H11Cl3N4O and a molecular weight of 333.61 g/mol. Its IUPAC name is 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID11256086
Molecular FormulaC12H11Cl3N4O
Molecular Weight333.61 g/mol
Exact Mass332.00
IUPAC Name5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H11Cl3N4O/c1-2-8-9(12(17)20)11(16)19(18-8)10-6(14)3-5(13)4-7(10)15/h3-4H,2,16H2,1H3,(H2,17,20)
InChIKeyICARZNPMUNEDAI-UHFFFAOYSA-N
XLogP3.08
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

3-ethyl-6-methyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402917
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 18b
CID 135402926
6-benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402947
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19d
CID 135402953
6-[(3-aminophenyl)methyl]-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402957
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19k
CID 135402960
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19n
CID 135402963
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19o
CID 135402964
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 24a
CID 135402976
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 21
CID 135402927
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 18a
CID 135402933
3-ethyl-6-(4-hydroxybutyl)-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402939

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (CID 11256086) is 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is ICARZNPMUNEDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O/c1-2-8-9(12(17)20)11(16)19(18-8)10-6(14)3-5(13)4-7(10)15/h3-4H,2,16H2,1H3,(H2,17,20).
What are the key properties of 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 333.61 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11256086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).