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

C13H13Cl3N4O — CID 11175453

IUPAC5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H13Cl3N4O/c1-2-3-9-10(13(18)21)12(17)20(19-9)11-7(15)4-6(14)5-8(11)16/h4-5H,2-3,17H2,1H3,(H2,18,21)
InChIKeyJCXYENSXFBJXMH-UHFFFAOYSA-N
MW347.63 g/mol
LogP3.47
Rot. Bonds4

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

5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (PubChem CID 11175453) has the molecular formula C13H13Cl3N4O and a molecular weight of 347.63 g/mol. Its IUPAC name is 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
PubChem CID11175453
Molecular FormulaC13H13Cl3N4O
Molecular Weight347.63 g/mol
Exact Mass346.02
IUPAC Name5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
SMILESCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H13Cl3N4O/c1-2-3-9-10(13(18)21)12(17)20(19-9)11-7(15)4-6(14)5-8(11)16/h4-5H,2-3,17H2,1H3,(H2,18,21)
InChIKeyJCXYENSXFBJXMH-UHFFFAOYSA-N
XLogP3.47
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide (CID 11175453) is 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
The InChIKey is JCXYENSXFBJXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4O/c1-2-3-9-10(13(18)21)12(17)20(19-9)11-7(15)4-6(14)5-8(11)16/h4-5H,2-3,17H2,1H3,(H2,18,21).
What are the key properties of 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide?
5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide has a molecular weight of 347.63 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 11175453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).