2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

C15H19N3O3 — CID 122246707

IUPAC2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCOCCn1cccn1
InChIInChI=1S/C15H19N3O3/c1-20-14-6-3-2-5-13(14)15(19)16-8-11-21-12-10-18-9-4-7-17-18/h2-7,9H,8,10-12H2,1H3,(H,16,19)
InChIKeyZYXLBPUZMWMKMZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.34
Rot. Bonds8

About 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide

2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (PubChem CID 122246707) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
PubChem CID122246707
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCOCCn1cccn1
InChIInChI=1S/C15H19N3O3/c1-20-14-6-3-2-5-13(14)15(19)16-8-11-21-12-10-18-9-4-7-17-18/h2-7,9H,8,10-12H2,1H3,(H,16,19)
InChIKeyZYXLBPUZMWMKMZ-UHFFFAOYSA-N
XLogP1.34
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-pyrazol-1-ylethoxy)ethyl]naphthalene-1-carboxamide
CID 122246734
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
2,6-dimethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 35525598
N-[2-(2-pyrazol-1-ylethoxy)ethyl]furan-2-carboxamide
CID 122246699
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-methoxy-N-[2-(4-phenylpyrazol-1-yl)ethyl]benzamide
CID 119102928
3-pyrazol-1-yl-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246749
3-cyano-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide
CID 122246704
2,6-dimethoxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538022
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
2-methoxy-N-tridecylbenzamide
CID 139819873

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide (CID 122246707) is 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is COc1ccccc1C(=O)NCCOCCn1cccn1.
What is the InChIKey of 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
The InChIKey is ZYXLBPUZMWMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-14-6-3-2-5-13(14)15(19)16-8-11-21-12-10-18-9-4-7-17-18/h2-7,9H,8,10-12H2,1H3,(H,16,19).
What are the key properties of 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide?
2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-pyrazol-1-ylethoxy)ethyl]benzamide is sourced from PubChem (CID 122246707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).