3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C16H19N3O3 — CID 30186764

IUPAC3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O3/c1-11(2)19-15(7-8-17-19)18-16(20)6-4-12-3-5-13-14(9-12)22-10-21-13/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,18,20)
InChIKeyJDHCXUASFIRKHM-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.76
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30186764) 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-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30186764
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O3/c1-11(2)19-15(7-8-17-19)18-16(20)6-4-12-3-5-13-14(9-12)22-10-21-13/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,18,20)
InChIKeyJDHCXUASFIRKHM-UHFFFAOYSA-N
XLogP2.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186728
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772171
N-(2-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropanamide
CID 47110779
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609804
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
2-[4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 43022599
2-(3,4-dichlorophenyl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 47097280
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115594806
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 95049494
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 24555905
4-(4-ethylphenyl)-4-oxo-N-(2-propan-2-ylpyrazol-3-yl)butanamide
CID 78772185

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30186764) is 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCc1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is JDHCXUASFIRKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11(2)19-15(7-8-17-19)18-16(20)6-4-12-3-5-13-14(9-12)22-10-21-13/h3,5,7-9,11H,4,6,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30186764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).