N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide

C17H21N3O3 — CID 46982449

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCc1cc(COC)n[nH]1
InChIInChI=1S/C17H21N3O3/c1-12(2)10-23-16-7-5-4-6-15(16)17(21)18-9-13-8-14(11-22-3)20-19-13/h4-8H,1,9-11H2,2-3H3,(H,18,21)(H,19,20)
InChIKeyLCHGKKQYIVXDIX-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.44
Rot. Bonds8

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 46982449) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
PubChem CID46982449
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCc1cc(COC)n[nH]1
InChIInChI=1S/C17H21N3O3/c1-12(2)10-23-16-7-5-4-6-15(16)17(21)18-9-13-8-14(11-22-3)20-19-13/h4-8H,1,9-11H2,2-3H3,(H,18,21)(H,19,20)
InChIKeyLCHGKKQYIVXDIX-UHFFFAOYSA-N
XLogP2.44
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-methylfuran-3-carboxamide
CID 91772290
2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
CID 119073813
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-1H-indazole-3-carboxamide
CID 90653226
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 95713576
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]quinoline-3-carboxamide
CID 56755942
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-(1,6-naphthyridin-5-yl)benzamide
CID 162628768
N-benzyl-2-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethoxy]benzamide
CID 34092355
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130400
2-(2-methylprop-2-enoxy)-N-[2-(3-phenylpropoxy)phenyl]benzamide
CID 17131528
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide (CID 46982449) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)NCc1cc(COC)n[nH]1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is LCHGKKQYIVXDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(2)10-23-16-7-5-4-6-15(16)17(21)18-9-13-8-14(11-22-3)20-19-13/h4-8H,1,9-11H2,2-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46982449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).