N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide

C21H21N3O2 — CID 787894

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide
SMILESCc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-15-13-16(2)24(23-15)19(25)14-22-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3,(H,22,26)
InChIKeyGJKZWVSQAXDQAO-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 787894) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID787894
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide
SMILESCc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O2/c1-15-13-16(2)24(23-15)19(25)14-22-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3,(H,22,26)
InChIKeyGJKZWVSQAXDQAO-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide (CID 787894) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide is Cc1cc(C)n(C(=O)CNC(=O)C(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is GJKZWVSQAXDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-15-13-16(2)24(23-15)19(25)14-22-21(26)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-13,20H,14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 347.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 787894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).