(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone

C13H9FN2O2 — CID 112614555

IUPAC(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cc3cccc(F)c3o2)cn1
InChIInChI=1S/C13H9FN2O2/c1-16-7-9(6-15-16)12(17)11-5-8-3-2-4-10(14)13(8)18-11/h2-7H,1H3
InChIKeyQMGPVWCWVJFKAH-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.54
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone (PubChem CID 112614555) has the molecular formula C13H9FN2O2 and a molecular weight of 244.22 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
PubChem CID112614555
Molecular FormulaC13H9FN2O2
Molecular Weight244.22 g/mol
Exact Mass244.06
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)c2cc3cccc(F)c3o2)cn1
InChIInChI=1S/C13H9FN2O2/c1-16-7-9(6-15-16)12(17)11-5-8-3-2-4-10(14)13(8)18-11/h2-7H,1H3
InChIKeyQMGPVWCWVJFKAH-UHFFFAOYSA-N
XLogP2.54
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone (CID 112614555) is (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)c2cc3cccc(F)c3o2)cn1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone?
The InChIKey is QMGPVWCWVJFKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2/c1-16-7-9(6-15-16)12(17)11-5-8-3-2-4-10(14)13(8)18-11/h2-7H,1H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone has a molecular weight of 244.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 112614555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).