2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone

C13H12N2O2 — CID 114972651

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H12N2O2/c1-15-11(4-6-14-15)13(16)10-2-3-12-9(8-10)5-7-17-12/h2-4,6,8H,5,7H2,1H3
InChIKeyVBISNBUIYVZAGT-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.59
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone

2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972651) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
PubChem CID114972651
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H12N2O2/c1-15-11(4-6-14-15)13(16)10-2-3-12-9(8-10)5-7-17-12/h2-4,6,8H,5,7H2,1H3
InChIKeyVBISNBUIYVZAGT-UHFFFAOYSA-N
XLogP1.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
CID 114988074
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
1,3-benzodioxol-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43338483
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
2,3-dihydro-1-benzofuran-5-yl-(5-methylthiophen-2-yl)methanone
CID 43462923
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone (CID 114972651) is 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone?
The InChIKey is VBISNBUIYVZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15-11(4-6-14-15)13(16)10-2-3-12-9(8-10)5-7-17-12/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone has a molecular weight of 228.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).