3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C16H19N3O3 — CID 31850462

IUPAC3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O3/c1-18(9-13-8-17-19(2)10-13)16(20)6-4-12-3-5-14-15(7-12)22-11-21-14/h3,5,7-8,10H,4,6,9,11H2,1-2H3
InChIKeyNZNBRBZOIPYPLU-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.74
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 31850462) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID31850462
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O3/c1-18(9-13-8-17-19(2)10-13)16(20)6-4-12-3-5-14-15(7-12)22-11-21-14/h3,5,7-8,10H,4,6,9,11H2,1-2H3
InChIKeyNZNBRBZOIPYPLU-UHFFFAOYSA-N
XLogP1.74
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 31850462) is 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(C)c1)C(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is NZNBRBZOIPYPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(9-13-8-17-19(2)10-13)16(20)6-4-12-3-5-14-15(7-12)22-11-21-14/h3,5,7-8,10H,4,6,9,11H2,1-2H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 31850462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).