N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide

C20H21N3O3 — CID 7492056

IUPACN-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-25-17-10-6-7-11-18(17)26-15-20(24)22-19-12-13-21-23(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyIAXBVXDYWTUHAZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.35
Rot. Bonds8

About N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide

N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide (PubChem CID 7492056) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
PubChem CID7492056
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide
SMILESCCOc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H21N3O3/c1-2-25-17-10-6-7-11-18(17)26-15-20(24)22-19-12-13-21-23(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,22,24)
InChIKeyIAXBVXDYWTUHAZ-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
2-(2-chlorophenoxy)-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 17468468
N-(2-benzylpyrazol-3-yl)-2-(4-chlorophenoxy)acetamide
CID 2542749
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-(2-benzylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 39911481
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78806525
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
CID 27832039
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 26725895
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-cyanophenoxy)acetamide
CID 17464978

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide (CID 7492056) is N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide is CCOc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide?
The InChIKey is IAXBVXDYWTUHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-25-17-10-6-7-11-18(17)26-15-20(24)22-19-12-13-21-23(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H,22,24).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(2-ethoxyphenoxy)acetamide 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)-2-(2-ethoxyphenoxy)acetamide is sourced from PubChem (CID 7492056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).