N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide

C19H25N3O2 — CID 46998485

IUPACN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(C)C(C)c1c(C)n[nH]c1C
InChIInChI=1S/C19H25N3O2/c1-12(2)11-24-17-10-8-7-9-16(17)19(23)22(6)15(5)18-13(3)20-21-14(18)4/h7-10,15H,1,11H2,2-6H3,(H,20,21)
InChIKeyLJPKFCKWMCVIOM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.81
Rot. Bonds6

About N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide

N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 46998485) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
PubChem CID46998485
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)N(C)C(C)c1c(C)n[nH]c1C
InChIInChI=1S/C19H25N3O2/c1-12(2)11-24-17-10-8-7-9-16(17)19(23)22(6)15(5)18-13(3)20-21-14(18)4/h7-10,15H,1,11H2,2-6H3,(H,20,21)
InChIKeyLJPKFCKWMCVIOM-UHFFFAOYSA-N
XLogP3.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 125173964
N-methyl-2-(2-methylprop-2-enoxy)-N-(2-morpholin-4-ylpropyl)benzamide
CID 46983829
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide
CID 46987339
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
1,2-bis(2-methylprop-2-enoxy)benzene
CID 10878622
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]-N-methyltriazole-4-carboxamide
CID 42095251
N-[(1R)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96577980
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
N-(3-amino-3-oxopropyl)-2-(2-methylprop-2-enoxy)-N-(2-phenylethyl)benzamide
CID 54789701
2-(2-methylprop-2-enoxy)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 46982086
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46982449
2-[2-(dimethylamino)-2-oxoethoxy]-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 43031428

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide (CID 46998485) is N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)N(C)C(C)c1c(C)n[nH]c1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is LJPKFCKWMCVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)11-24-17-10-8-7-9-16(17)19(23)22(6)15(5)18-13(3)20-21-14(18)4/h7-10,15H,1,11H2,2-6H3,(H,20,21).
What are the key properties of N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide?
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 327.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 46998485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).