N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide

C23H28N4O — CID 99612955

IUPACN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3cc(CN(C)C)ccc3C)c2C)c1
InChIInChI=1S/C23H28N4O/c1-15-7-8-17(3)22(11-15)27-18(4)20(13-24-27)23(28)25-21-12-19(14-26(5)6)10-9-16(21)2/h7-13H,14H2,1-6H3,(H,25,28)
InChIKeyIDZRRLVWVIYFMU-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.42
Rot. Bonds5

About N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide

N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 99612955) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID99612955
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1ccc(C)c(-n2ncc(C(=O)Nc3cc(CN(C)C)ccc3C)c2C)c1
InChIInChI=1S/C23H28N4O/c1-15-7-8-17(3)22(11-15)27-18(4)20(13-24-27)23(28)25-21-12-19(14-26(5)6)10-9-16(21)2/h7-13H,14H2,1-6H3,(H,25,28)
InChIKeyIDZRRLVWVIYFMU-UHFFFAOYSA-N
XLogP4.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-ethoxy-5-methylbenzamide
CID 167958385
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604738
2-chloro-N-[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-4,5-difluorobenzamide
CID 99696284
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
CID 166360892
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-hydroxypyridine-2-carboxamide
CID 167841465
1-(2,5-dimethylphenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
CID 99590027
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208

Frequently Asked Questions

What is the IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide (CID 99612955) is N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide is Cc1ccc(C)c(-n2ncc(C(=O)Nc3cc(CN(C)C)ccc3C)c2C)c1.
What is the InChIKey of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is IDZRRLVWVIYFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15-7-8-17(3)22(11-15)27-18(4)20(13-24-27)23(28)25-21-12-19(14-26(5)6)10-9-16(21)2/h7-13H,14H2,1-6H3,(H,25,28).
What are the key properties of N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide?
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(dimethylamino)methyl]-2-methylphenyl]-1-(2,5-dimethylphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 99612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).