4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one

C15H15N3O2 — CID 168501341

IUPAC4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnn2Cc2ccc(C)o2)C1
InChIInChI=1S/C15H15N3O2/c1-3-12-8-15(19)17(9-12)14-6-7-16-18(14)10-13-5-4-11(2)20-13/h1,4-7,12H,8-10H2,2H3
InChIKeyXFZYYPOQQFQCDQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.82
Rot. Bonds3

About 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one

4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one (PubChem CID 168501341) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one
PubChem CID168501341
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one
SMILESC#CC1CC(=O)N(c2ccnn2Cc2ccc(C)o2)C1
InChIInChI=1S/C15H15N3O2/c1-3-12-8-15(19)17(9-12)14-6-7-16-18(14)10-13-5-4-11(2)20-13/h1,4-7,12H,8-10H2,2H3
InChIKeyXFZYYPOQQFQCDQ-UHFFFAOYSA-N
XLogP1.82
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrazol-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500602
[1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168676171
4-ethynyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 168501132
1-[2-(furan-2-ylmethyl)pyrazol-3-yl]-5-oxopyrrolidine-3-sulfonamide
CID 168719472
4-ethynyl-1-(3-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501383
1-(2,6-dimethylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501354
4-ethynyl-1-(5-methylpyrimidin-2-yl)pyrrolidin-2-one
CID 168501389
4-ethynyl-1-(5-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168501135
1-(3-amino-4-methylphenyl)-4-ethynylpyrrolidin-2-one
CID 168501179
4-ethynyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-one
CID 168501455
1-[(5-methylfuran-2-yl)methyl]pyrrolidine-2,5-dione
CID 16762249
4-(chloromethyl)-1-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-2-one
CID 168506976

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one (CID 168501341) is 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one is C#CC1CC(=O)N(c2ccnn2Cc2ccc(C)o2)C1.
What is the InChIKey of 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one?
The InChIKey is XFZYYPOQQFQCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-3-12-8-15(19)17(9-12)14-6-7-16-18(14)10-13-5-4-11(2)20-13/h1,4-7,12H,8-10H2,2H3.
What are the key properties of 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one?
4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168501341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).