N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C22H25N3O — CID 25106309

IUPACN-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc(C)c(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H25N3O/c1-15-10-11-16(2)19(12-15)14-23-22(26)13-21-17(3)24-25(18(21)4)20-8-6-5-7-9-20/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyCYXQTFRDURUQEZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 25106309) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID25106309
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1ccc(C)c(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H25N3O/c1-15-10-11-16(2)19(12-15)14-23-22(26)13-21-17(3)24-25(18(21)4)20-8-6-5-7-9-20/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyCYXQTFRDURUQEZ-UHFFFAOYSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 25106309) is N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1ccc(C)c(CNC(=O)Cc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is CYXQTFRDURUQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-10-11-16(2)19(12-15)14-23-22(26)13-21-17(3)24-25(18(21)4)20-8-6-5-7-9-20/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25106309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).