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

C12H10N2O2 — CID 114988074

IUPAC2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccn[nH]1
InChIInChI=1S/C12H10N2O2/c15-12(10-3-5-13-14-10)9-1-2-11-8(7-9)4-6-16-11/h1-3,5,7H,4,6H2,(H,13,14)
InChIKeyGMPMMNIOJGZXGH-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.58
Rot. Bonds2

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

2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone (PubChem CID 114988074) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
PubChem CID114988074
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)c1ccn[nH]1
InChIInChI=1S/C12H10N2O2/c15-12(10-3-5-13-14-10)9-1-2-11-8(7-9)4-6-16-11/h1-3,5,7H,4,6H2,(H,13,14)
InChIKeyGMPMMNIOJGZXGH-UHFFFAOYSA-N
XLogP1.58
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-methylpyrazol-3-yl)methanone
CID 114972651
5-(2,3-dihydro-1-benzofuran-5-carbonyl)-1,3-dihydroindol-2-one
CID 62198656
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
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
2,3-dihydro-1-benzofuran-5-yl-(4-methylsulfonylphenyl)methanone
CID 43338476
(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-fluoro-2,6-dimethylphenyl)methanone
CID 106877027

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone (CID 114988074) is 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone is O=C(c1ccc2c(c1)CCO2)c1ccn[nH]1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone?
The InChIKey is GMPMMNIOJGZXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12(10-3-5-13-14-10)9-1-2-11-8(7-9)4-6-16-11/h1-3,5,7H,4,6H2,(H,13,14).
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone has a molecular weight of 214.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 114988074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).