2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C19H19N3O3 — CID 75393456

IUPAC2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2coc3ccccc23)cn1
InChIInChI=1S/C19H19N3O3/c1-21-11-13(10-20-21)17(23)9-14-5-4-8-22(14)19(24)16-12-25-18-7-3-2-6-15(16)18/h2-3,6-7,10-12,14H,4-5,8-9H2,1H3
InChIKeyFEYLFPICQSGRDF-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.04
Rot. Bonds4

About 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75393456) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75393456
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(C(=O)CC2CCCN2C(=O)c2coc3ccccc23)cn1
InChIInChI=1S/C19H19N3O3/c1-21-11-13(10-20-21)17(23)9-14-5-4-8-22(14)19(24)16-12-25-18-7-3-2-6-15(16)18/h2-3,6-7,10-12,14H,4-5,8-9H2,1H3
InChIKeyFEYLFPICQSGRDF-UHFFFAOYSA-N
XLogP3.04
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75393456) is 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is Cn1cc(C(=O)CC2CCCN2C(=O)c2coc3ccccc23)cn1.
What is the InChIKey of 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is FEYLFPICQSGRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21-11-13(10-20-21)17(23)9-14-5-4-8-22(14)19(24)16-12-25-18-7-3-2-6-15(16)18/h2-3,6-7,10-12,14H,4-5,8-9H2,1H3.
What are the key properties of 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 337.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-3-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75393456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).