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

C11H10N2O — CID 54230227

IUPAC5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole
SMILESc1ccc2c(c1)CC(c1ccn[nH]1)O2
InChIInChI=1S/C11H10N2O/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-6,11H,7H2,(H,12,13)
InChIKeyQISUNDKFYNESJD-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.09
Rot. Bonds1

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

5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole (PubChem CID 54230227) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole
PubChem CID54230227
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole
SMILESc1ccc2c(c1)CC(c1ccn[nH]1)O2
InChIInChI=1S/C11H10N2O/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-6,11H,7H2,(H,12,13)
InChIKeyQISUNDKFYNESJD-UHFFFAOYSA-N
XLogP2.09
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole (CID 54230227) is 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole is c1ccc2c(c1)CC(c1ccn[nH]1)O2.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole?
The InChIKey is QISUNDKFYNESJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c1-2-4-10-8(3-1)7-11(14-10)9-5-6-12-13-9/h1-6,11H,7H2,(H,12,13).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole?
5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole has a molecular weight of 186.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-2-yl)-1H-pyrazole is sourced from PubChem (CID 54230227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).