4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C20H21N3O3 — CID 19292350

IUPAC4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCc3cnn(C)c3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-23-13-16(12-22-23)11-21-20(24)17-5-3-15(4-6-17)14-26-19-9-7-18(25-2)8-10-19/h3-10,12-13H,11,14H2,1-2H3,(H,21,24)
InChIKeyRMDHUICMGXDSFY-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.94
Rot. Bonds7

About 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide

4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 19292350) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID19292350
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCc3cnn(C)c3)cc2)cc1
InChIInChI=1S/C20H21N3O3/c1-23-13-16(12-22-23)11-21-20(24)17-5-3-15(4-6-17)14-26-19-9-7-18(25-2)8-10-19/h3-10,12-13H,11,14H2,1-2H3,(H,21,24)
InChIKeyRMDHUICMGXDSFY-UHFFFAOYSA-N
XLogP2.94
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chlorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292411
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
N-[(1-methylpyrazol-4-yl)methyl]-4-[(2,3,5,6-tetrafluorophenoxy)methyl]benzamide
CID 19292392
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
1-(4-methoxyphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 146501058
4-cyano-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61343888
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-methylpyrazole-4-carbohydrazide
CID 9277379
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3,4,5-trimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60568762
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375355
5-[(4-iodophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417314

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 19292350) is 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)NCc3cnn(C)c3)cc2)cc1.
What is the InChIKey of 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is RMDHUICMGXDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-23-13-16(12-22-23)11-21-20(24)17-5-3-15(4-6-17)14-26-19-9-7-18(25-2)8-10-19/h3-10,12-13H,11,14H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19292350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).