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

C14H14N2O2 — CID 114972403

IUPAC1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H14N2O2/c1-2-16-13(5-6-15-16)14(17)10-3-4-11-8-18-9-12(11)7-10/h3-7H,2,8-9H2,1H3
InChIKeyHLKLHFFKHFFHKH-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.16
Rot. Bonds3

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

1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone (PubChem CID 114972403) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
PubChem CID114972403
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone
SMILESCCn1nccc1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H14N2O2/c1-2-16-13(5-6-15-16)14(17)10-3-4-11-8-18-9-12(11)7-10/h3-7H,2,8-9H2,1H3
InChIKeyHLKLHFFKHFFHKH-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone (CID 114972403) is 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone is CCn1nccc1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone?
The InChIKey is HLKLHFFKHFFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-16-13(5-6-15-16)14(17)10-3-4-11-8-18-9-12(11)7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone?
1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(2-ethylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).