N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C15H20N4O — CID 104757095

IUPACN-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(C)nn(C)c2C)cc1N
InChIInChI=1S/C15H20N4O/c1-8-6-9(2)13(7-12(8)16)17-15(20)14-10(3)18-19(5)11(14)4/h6-7H,16H2,1-5H3,(H,17,20)
InChIKeyXZXWSIHMCLZERG-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.49
Rot. Bonds2

About N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 104757095) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID104757095
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2c(C)nn(C)c2C)cc1N
InChIInChI=1S/C15H20N4O/c1-8-6-9(2)13(7-12(8)16)17-15(20)14-10(3)18-19(5)11(14)4/h6-7H,16H2,1-5H3,(H,17,20)
InChIKeyXZXWSIHMCLZERG-UHFFFAOYSA-N
XLogP2.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 113263016
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
N-(2-bromo-5-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 103753650
N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
N-(2-acetylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide;1-(2-aminophenyl)ethanone;chloromethane;1,3,5-trimethylpyrazole-4-carbonyl chloride
CID 157199273
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
1,3,5-trimethyl-N-(2,3,5,6-tetrafluorophenyl)pyrazole-4-carboxamide
CID 19281483

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 104757095) is N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1cc(C)c(NC(=O)c2c(C)nn(C)c2C)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is XZXWSIHMCLZERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-8-6-9(2)13(7-12(8)16)17-15(20)14-10(3)18-19(5)11(14)4/h6-7H,16H2,1-5H3,(H,17,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 104757095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).