4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

C20H21N3O2 — CID 26081638

IUPAC4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-15-17-3-7-18(8-4-17)20(24)21-13-11-16-5-9-19(10-6-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyXTHDAVQRTADFGO-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.99
Rot. Bonds7

About 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide

4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (PubChem CID 26081638) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
PubChem CID26081638
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1
InChIInChI=1S/C20H21N3O2/c1-25-15-17-3-7-18(8-4-17)20(24)21-13-11-16-5-9-19(10-6-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24)
InChIKeyXTHDAVQRTADFGO-UHFFFAOYSA-N
XLogP2.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412873
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
4-methoxy-N-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111863419
4-bromo-3,5-dimethoxy-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081852
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
1-[2-(methoxymethyl)phenyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 86989246
1-ethyl-2-[[4-(methoxymethyl)phenyl]methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]guanidine
CID 111863868
4-chloro-N-[4-oxo-4-[2-(4-pyrazol-1-ylphenyl)ethylamino]butyl]benzamide
CID 26081615
4-ethoxy-N-[2-oxo-2-[2-(4-pyrazol-1-ylphenyl)ethylamino]ethyl]benzamide
CID 41412796
methyl 4-[2-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]ethyl]benzoate
CID 111864080
N-[2-(4-methoxyphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 110698153
4-methyl-3-nitro-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412921

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide (CID 26081638) is 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is COCc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is XTHDAVQRTADFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-15-17-3-7-18(8-4-17)20(24)21-13-11-16-5-9-19(10-6-16)23-14-2-12-22-23/h2-10,12,14H,11,13,15H2,1H3,(H,21,24).
What are the key properties of 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide?
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 26081638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).