1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone

C16H19N3O2 — CID 61438536

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCO2)Cc1cnn(C)c1
InChIInChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)11-15(20)13-3-4-16-14(7-13)5-6-21-16/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyPVBQUGAEMVTTFD-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.67
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone

1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone (PubChem CID 61438536) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
PubChem CID61438536
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone
SMILESCN(CC(=O)c1ccc2c(c1)CCO2)Cc1cnn(C)c1
InChIInChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)11-15(20)13-3-4-16-14(7-13)5-6-21-16/h3-4,7-8,10H,5-6,9,11H2,1-2H3
InChIKeyPVBQUGAEMVTTFD-UHFFFAOYSA-N
XLogP1.67
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 60863461
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 114965179
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 95215750
N-[[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 95215749
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 46988045
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 61453131
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
CID 114972651
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
1-(3-bromophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62613793
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone (CID 61438536) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone is CN(CC(=O)c1ccc2c(c1)CCO2)Cc1cnn(C)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone?
The InChIKey is PVBQUGAEMVTTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(9-12-8-17-19(2)10-12)11-15(20)13-3-4-16-14(7-13)5-6-21-16/h3-4,7-8,10H,5-6,9,11H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanone is sourced from PubChem (CID 61438536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).