2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C16H18N2O3 — CID 114642156

IUPAC2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1COc2ccccc21
InChIInChI=1S/C16H18N2O3/c1-10(2)18-15(14(20-3)8-17-18)16(19)12-9-21-13-7-5-4-6-11(12)13/h4-8,10,12H,9H2,1-3H3
InChIKeyDQQSVBKWLIHUEL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.83
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114642156) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114642156
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1COc2ccccc21
InChIInChI=1S/C16H18N2O3/c1-10(2)18-15(14(20-3)8-17-18)16(19)12-9-21-13-7-5-4-6-11(12)13/h4-8,10,12H,9H2,1-3H3
InChIKeyDQQSVBKWLIHUEL-UHFFFAOYSA-N
XLogP2.83
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640841
2,3-dihydro-1-benzofuran-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81118525
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810541
2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-phenylethanone
CID 114642875
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
methyl 2-[5-(2,3-dihydro-1-benzofuran-3-carbonyl)thiophen-2-yl]acetate
CID 82886046
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96538964
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-one
CID 114638776

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 114642156) is 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)C1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is DQQSVBKWLIHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)18-15(14(20-3)8-17-18)16(19)12-9-21-13-7-5-4-6-11(12)13/h4-8,10,12H,9H2,1-3H3.
What are the key properties of 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 286.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114642156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).