N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide

C22H25N3O2 — CID 60515248

IUPACN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(CNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1)Cn1cccn1
InChIInChI=1S/C22H25N3O2/c1-17(16-25-14-6-13-24-25)15-23-22(26)18(2)27-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,23,26)
InChIKeyPPKPOHZUXIAACA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.77
Rot. Bonds8

About N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 60515248) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
PubChem CID60515248
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(CNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1)Cn1cccn1
InChIInChI=1S/C22H25N3O2/c1-17(16-25-14-6-13-24-25)15-23-22(26)18(2)27-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,23,26)
InChIKeyPPKPOHZUXIAACA-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980921
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
N-[(2-chlorophenyl)methyl]-2-(4-phenylphenoxy)propanamide
CID 17194172
N-[2-[2-(4-phenylphenoxy)propanoylamino]ethyl]benzamide
CID 46686897
(2S)-2-phenoxy-N-[2-(triazol-2-yl)ethyl]propanamide
CID 129417789
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111680479
2-(4-methoxyphenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 55734463
N-(2-methyl-3-pyrazol-1-ylpropyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 55734148
N-(2-methyl-3-pyrazol-1-ylpropyl)-6-phenoxypyridine-3-carboxamide
CID 87018896
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
(2R)-N-[(2R)-3-(dimethylamino)-2-methylpropyl]-2-phenoxypropanamide
CID 2233791

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide (CID 60515248) is N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide is CC(CNC(=O)C(C)Oc1ccc(-c2ccccc2)cc1)Cn1cccn1.
What is the InChIKey of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is PPKPOHZUXIAACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-17(16-25-14-6-13-24-25)15-23-22(26)18(2)27-21-11-9-20(10-12-21)19-7-4-3-5-8-19/h3-14,17-18H,15-16H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide?
N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 60515248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).