2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C20H21N3O3 — CID 55996337

IUPAC2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O3/c1-25-11-12-26-19-10-6-5-9-18(19)20(24)21-13-16-14-22-23(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyAHDSSZAKDDZPRO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.83
Rot. Bonds8

About 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 55996337) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID55996337
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOCCOc1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C20H21N3O3/c1-25-11-12-26-19-10-6-5-9-18(19)20(24)21-13-16-14-22-23(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3,(H,21,24)
InChIKeyAHDSSZAKDDZPRO-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 37141097
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]benzamide
CID 19290746
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
4-ethoxy-5-methoxy-2-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 42044515
2-anilino-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidine-5-carboxamide
CID 72851855
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
1-(4-methoxyphenyl)-2,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 24617865
2-(4-ethoxyphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 26078765
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 55996337) is 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is COCCOc1ccccc1C(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is AHDSSZAKDDZPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-11-12-26-19-10-6-5-9-18(19)20(24)21-13-16-14-22-23(15-16)17-7-3-2-4-8-17/h2-10,14-15H,11-13H2,1H3,(H,21,24).
What are the key properties of 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 55996337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).