N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide

C16H19N3O3 — CID 51074910

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)CCn1cccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19N3O3/c1-12(18-16(20)5-8-19-7-2-6-17-19)13-3-4-14-15(11-13)22-10-9-21-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,18,20)
InChIKeyBJAFFUJXXAAUOL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds5

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 51074910) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID51074910
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)CCn1cccn1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H19N3O3/c1-12(18-16(20)5-8-19-7-2-6-17-19)13-3-4-14-15(11-13)22-10-9-21-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,18,20)
InChIKeyBJAFFUJXXAAUOL-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 141484732
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]acrylamide
CID 2176456
N-benzyl-1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 2474145
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]-N-[4-(trifluoromethoxy)benzyl]methanamine
CID 16191383
2-[1-(2,3-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191921
Lipid Droplet Inhibitor ML360
CID 70789742
1-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 72145002
3-[3-(3-Cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-morpholin-4-yl-propan-1-one
CID 118305347
N-[(2-Ethoxyphenyl)methyl]-3-(1H-pyrazol-1-YL)propanamide
CID 16026464
2-[1-(2,3-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16191660
2-[1-(2,3-dimethoxybenzyl)-3-oxo-2-piperazinyl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16191674
3-[(1-acetyl-4-piperidinyl)oxy]-4-methoxy-N-[3-(1H-pyrazol-1-yl)propyl]benzamide
CID 24790139

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide (CID 51074910) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide is CC(NC(=O)CCn1cccn1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is BJAFFUJXXAAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12(18-16(20)5-8-19-7-2-6-17-19)13-3-4-14-15(11-13)22-10-9-21-14/h2-4,6-7,11-12H,5,8-10H2,1H3,(H,18,20).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 301.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 51074910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).