2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide

C22H25N3O — CID 46887106

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-16-20(17(2)25(24-16)19-13-9-6-10-14-19)15-21(26)23-22(3,4)18-11-7-5-8-12-18/h5-14H,15H2,1-4H3,(H,23,26)
InChIKeyAAEDHMXIOGFEHG-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.08
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide (PubChem CID 46887106) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide
PubChem CID46887106
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)(C)c1ccccc1
InChIInChI=1S/C22H25N3O/c1-16-20(17(2)25(24-16)19-13-9-6-10-14-19)15-21(26)23-22(3,4)18-11-7-5-8-12-18/h5-14H,15H2,1-4H3,(H,23,26)
InChIKeyAAEDHMXIOGFEHG-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide (CID 46887106) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NC(C)(C)c1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide?
The InChIKey is AAEDHMXIOGFEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16-20(17(2)25(24-16)19-13-9-6-10-14-19)15-21(26)23-22(3,4)18-11-7-5-8-12-18/h5-14H,15H2,1-4H3,(H,23,26).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide has a molecular weight of 347.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 46887106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).