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

C15H19N3O — CID 17423389

IUPACN-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C15H19N3O/c1-9-7-6-8-13(10(9)2)16-15(19)14-11(3)17-18(5)12(14)4/h6-8H,1-5H3,(H,16,19)
InChIKeyJEKGVZOLUILBGA-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.91
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 17423389) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID17423389
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1cccc(NC(=O)c2c(C)nn(C)c2C)c1C
InChIInChI=1S/C15H19N3O/c1-9-7-6-8-13(10(9)2)16-15(19)14-11(3)17-18(5)12(14)4/h6-8H,1-5H3,(H,16,19)
InChIKeyJEKGVZOLUILBGA-UHFFFAOYSA-N
XLogP2.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(bromomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 113274430
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
1,3,5-trimethyl-N-phenylpyrazole-4-carboxamide
CID 19281566
N-(2,3-dimethylphenyl)-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480602
N-(4-hydroxy-2,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 106834916
4-methyl-3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 28742531
N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3-dimethylphenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 59684915
N-(2,3-dimethylphenyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methoxy]benzamide
CID 142437020
N-(5-amino-2,4-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104757095
N-(2,3-dimethylphenyl)-5-methyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473295
N-(2-bromo-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742902
N-(6-chloro-4-methyl-3-pyridinyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 113263016

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 17423389) is N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1cccc(NC(=O)c2c(C)nn(C)c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is JEKGVZOLUILBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-7-6-8-13(10(9)2)16-15(19)14-11(3)17-18(5)12(14)4/h6-8H,1-5H3,(H,16,19).
What are the key properties of N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17423389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).