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

C21H23N3O — CID 744631

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C21H23N3O/c1-16-20(17(2)24(23-16)19-11-7-4-8-12-19)15-21(25)22-14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeyYQXAFRSECQVWSM-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.39
Rot. Bonds6

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

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide (PubChem CID 744631) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide
PubChem CID744631
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1
InChIInChI=1S/C21H23N3O/c1-16-20(17(2)24(23-16)19-11-7-4-8-12-19)15-21(25)22-14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,22,25)
InChIKeyYQXAFRSECQVWSM-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.39
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-phenylethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide (CID 744631) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is YQXAFRSECQVWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-20(17(2)24(23-16)19-11-7-4-8-12-19)15-21(25)22-14-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,22,25).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.39, 6 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-phenylethyl)acetamide is sourced from PubChem (CID 744631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).