2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

C18H23N3O3 — CID 75393449

IUPAC2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1cc(C)c(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)o1
InChIInChI=1S/C18H23N3O3/c1-4-15-8-12(2)17(24-15)18(23)21-7-5-6-14(21)9-16(22)13-10-19-20(3)11-13/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyXSAHFFUMXVFISE-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone

2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (PubChem CID 75393449) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
PubChem CID75393449
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
SMILESCCc1cc(C)c(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)o1
InChIInChI=1S/C18H23N3O3/c1-4-15-8-12(2)17(24-15)18(23)21-7-5-6-14(21)9-16(22)13-10-19-20(3)11-13/h8,10-11,14H,4-7,9H2,1-3H3
InChIKeyXSAHFFUMXVFISE-UHFFFAOYSA-N
XLogP2.76
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone (CID 75393449) is 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is CCc1cc(C)c(C(=O)N2CCCC2CC(=O)c2cnn(C)c2)o1.
What is the InChIKey of 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is XSAHFFUMXVFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-15-8-12(2)17(24-15)18(23)21-7-5-6-14(21)9-16(22)13-10-19-20(3)11-13/h8,10-11,14H,4-7,9H2,1-3H3.
What are the key properties of 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone?
2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-ethyl-3-methylfuran-2-carbonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 75393449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).