N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

C21H22N4O3 — CID 26466691

IUPACN-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22N4O3/c1-15(26)23-17-9-10-20(28-2)19(12-17)24-21(27)11-8-16-13-22-25(14-16)18-6-4-3-5-7-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUCHLOHKTLYFVBX-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.41
Rot. Bonds7

About N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide

N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 26466691) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID26466691
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C21H22N4O3/c1-15(26)23-17-9-10-20(28-2)19(12-17)24-21(27)11-8-16-13-22-25(14-16)18-6-4-3-5-7-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUCHLOHKTLYFVBX-UHFFFAOYSA-N
XLogP3.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-sulfamoylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 55471999
N-(4,5-dimethoxy-2-methylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466633
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-(3-acetamido-4-methoxyphenyl)-3-phenylpropanamide
CID 51651956
N-(2-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466144
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 46597453
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 3-phenylpropanoate
CID 9016443
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16621818
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55530493
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 24646854

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 26466691) is N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is COc1ccc(NC(C)=O)cc1NC(=O)CCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is UCHLOHKTLYFVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)23-17-9-10-20(28-2)19(12-17)24-21(27)11-8-16-13-22-25(14-16)18-6-4-3-5-7-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 378.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 26466691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).