2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide

C26H22N4O2 — CID 39763812

IUPAC2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C26H22N4O2/c1-29(25(31)19-32-24-15-9-8-12-21(24)16-27)17-22-18-30(23-13-6-3-7-14-23)28-26(22)20-10-4-2-5-11-20/h2-15,18H,17,19H2,1H3
InChIKeyRPGLQHZRFDDKGN-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.45
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide

2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide (PubChem CID 39763812) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
PubChem CID39763812
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccccc1C#N
InChIInChI=1S/C26H22N4O2/c1-29(25(31)19-32-24-15-9-8-12-21(24)16-27)17-22-18-30(23-13-6-3-7-14-23)28-26(22)20-10-4-2-5-11-20/h2-15,18H,17,19H2,1H3
InChIKeyRPGLQHZRFDDKGN-UHFFFAOYSA-N
XLogP4.45
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55996599
2-(2-cyanophenoxy)-N-[(2,4-dimethylphenyl)methyl]-N-methylacetamide
CID 9227961
(E)-3-(4-cyanophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 17457526
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36912681
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
2-(2-cyanophenoxy)-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 43397563

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide (CID 39763812) is 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
The InChIKey is RPGLQHZRFDDKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-29(25(31)19-32-24-15-9-8-12-21(24)16-27)17-22-18-30(23-13-6-3-7-14-23)28-26(22)20-10-4-2-5-11-20/h2-15,18H,17,19H2,1H3.
What are the key properties of 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide?
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide has a molecular weight of 422.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 39763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).