N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide

C20H21N3O3 — CID 39911481

IUPACN-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-25-17-9-5-6-10-18(17)26-14-12-20(24)22-19-11-13-21-23(19)15-16-7-3-2-4-8-16/h2-11,13H,12,14-15H2,1H3,(H,22,24)
InChIKeyXXRGNVSMDLZISR-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds8

About N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide

N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide (PubChem CID 39911481) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
PubChem CID39911481
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-25-17-9-5-6-10-18(17)26-14-12-20(24)22-19-11-13-21-23(19)15-16-7-3-2-4-8-16/h2-11,13H,12,14-15H2,1H3,(H,22,24)
InChIKeyXXRGNVSMDLZISR-UHFFFAOYSA-N
XLogP3.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
CID 7492056
1-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenyl)urea
CID 2544645
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 16560066
2-(2-methoxyphenoxy)-N-[2-(2-methylpropyl)pyrazol-3-yl]acetamide
CID 134026099
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropoxy)propanamide
CID 55687161
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 18126844
N-(2-benzylpyrazol-3-yl)-3-cyclopentylpropanamide
CID 47007012
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide (CID 39911481) is N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide?
The InChIKey is XXRGNVSMDLZISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-17-9-5-6-10-18(17)26-14-12-20(24)22-19-11-13-21-23(19)15-16-7-3-2-4-8-16/h2-11,13H,12,14-15H2,1H3,(H,22,24).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide?
N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide has a molecular weight of 351.41 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 39911481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).