N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C22H25N3O — CID 25106397

IUPACN-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-15-9-8-10-16(2)21(15)14-23-22(26)13-20-17(3)24-25(18(20)4)19-11-6-5-7-12-19/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyXZJBRPCMOBIDMV-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 25106397) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID25106397
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1cccc(C)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C22H25N3O/c1-15-9-8-10-16(2)21(15)14-23-22(26)13-20-17(3)24-25(18(20)4)19-11-6-5-7-12-19/h5-12H,13-14H2,1-4H3,(H,23,26)
InChIKeyXZJBRPCMOBIDMV-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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Related Compounds

1H-Pyrazole-4-carboxamide, 1,3-diphenyl-5-methyl-N-(phenylmethyl)-
CID 997622
1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-ethyl-4-(3-methyl-5-phenyl-1H-pyrazol-1-yl)benzamide
CID 826946
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
3-methyl-N-(4-methylbenzyl)-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015294
5-chloro-3-methyl-1-phenyl-N-(2-phenylpropyl)pyrazole-4-carboxamide
CID 16294262
N-(2,3-dimethylphenyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 20861277
N-isopropyl-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 759525
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9209741
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9268807
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-(2-phenylethyl)butanamide
CID 16022670
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[2-(4-methylphenyl)ethyl]butanamide
CID 16022688

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 25106397) is N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1cccc(C)c1CNC(=O)Cc1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is XZJBRPCMOBIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15-9-8-10-16(2)21(15)14-23-22(26)13-20-17(3)24-25(18(20)4)19-11-6-5-7-12-19/h5-12H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2,6-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-[(2,6-dimethylphenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 25106397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).