N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide

C20H21N3O3 — CID 9171374

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-22(14-15-26-19-10-8-18(25-2)9-11-19)20(24)16-4-6-17(7-5-16)23-13-3-12-21-23/h3-13H,14-15H2,1-2H3
InChIKeyUSAMSEINMROWEM-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide (PubChem CID 9171374) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide
PubChem CID9171374
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-22(14-15-26-19-10-8-18(25-2)9-11-19)20(24)16-4-6-17(7-5-16)23-13-3-12-21-23/h3-13H,14-15H2,1-2H3
InChIKeyUSAMSEINMROWEM-UHFFFAOYSA-N
XLogP3.03
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide (CID 9171374) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide is COc1ccc(OCCN(C)C(=O)c2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
The InChIKey is USAMSEINMROWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-22(14-15-26-19-10-8-18(25-2)9-11-19)20(24)16-4-6-17(7-5-16)23-13-3-12-21-23/h3-13H,14-15H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide has a molecular weight of 351.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 9171374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).