N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide

C19H19N3O — CID 42109659

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)20-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23)
InChIKeyVDQFOXPXOYHZPC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.50
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide

N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide (PubChem CID 42109659) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
PubChem CID42109659
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide
SMILESCc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C)n1
InChIInChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)20-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23)
InChIKeyVDQFOXPXOYHZPC-UHFFFAOYSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide (CID 42109659) is N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide is Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide?
The InChIKey is VDQFOXPXOYHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-14-13-17(22(2)21-14)20-19(23)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,18H,1-2H3,(H,20,23).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide?
N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide has a molecular weight of 305.38 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 42109659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).