5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide

C13H14Cl2N4O — CID 18540666

IUPAC5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H14Cl2N4O/c1-6(2)10-9(13(17)20)12(16)19(18-10)11-7(14)4-3-5-8(11)15/h3-6H,16H2,1-2H3,(H2,17,20)
InChIKeyNUPZHPSRMKAICE-UHFFFAOYSA-N
MW313.19 g/mol
LogP2.98
Rot. Bonds3

About 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide

5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide (PubChem CID 18540666) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide
PubChem CID18540666
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H14Cl2N4O/c1-6(2)10-9(13(17)20)12(16)19(18-10)11-7(14)4-3-5-8(11)15/h3-6H,16H2,1-2H3,(H2,17,20)
InChIKeyNUPZHPSRMKAICE-UHFFFAOYSA-N
XLogP2.98
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide (CID 18540666) is 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide is CC(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is NUPZHPSRMKAICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-6(2)10-9(13(17)20)12(16)19(18-10)11-7(14)4-3-5-8(11)15/h3-6H,16H2,1-2H3,(H2,17,20).
What are the key properties of 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide?
5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dichlorophenyl)-3-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 18540666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).