2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

C16H19N3O2 — CID 46982086

IUPAC2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C16H19N3O2/c1-12(2)11-21-15-7-5-4-6-14(15)16(20)17-10-13-8-9-18-19(13)3/h4-9H,1,10-11H2,2-3H3,(H,17,20)
InChIKeyPQCASMSLMAUTSS-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.31
Rot. Bonds6

About 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide

2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 46982086) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
PubChem CID46982086
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
SMILESC=C(C)COc1ccccc1C(=O)NCc1ccnn1C
InChIInChI=1S/C16H19N3O2/c1-12(2)11-21-15-7-5-4-6-14(15)16(20)17-10-13-8-9-18-19(13)3/h4-9H,1,10-11H2,2-3H3,(H,17,20)
InChIKeyPQCASMSLMAUTSS-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46994347
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46982449
2-(2-methylprop-2-enoxy)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 50958894
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethoxybenzamide
CID 19282116
5-amino-2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 63304703
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-ethoxybenzamide
CID 19294449
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
2-[4-[(dimethylamino)methyl]imidazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 110121961
2,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-7-carboxamide
CID 86979107
2-(2-methylprop-2-enoxy)-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 46994853

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide (CID 46982086) is 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is C=C(C)COc1ccccc1C(=O)NCc1ccnn1C.
What is the InChIKey of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is PQCASMSLMAUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(2)11-21-15-7-5-4-6-14(15)16(20)17-10-13-8-9-18-19(13)3/h4-9H,1,10-11H2,2-3H3,(H,17,20).
What are the key properties of 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide?
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 285.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 46982086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).