ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate

C11H14FN3O3 — CID 174336343

IUPACethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)NCC1c1cc(F)n(C)n1
InChIInChI=1S/C11H14FN3O3/c1-3-18-11(17)9-6(5-13-10(9)16)7-4-8(12)15(2)14-7/h4,6,9H,3,5H2,1-2H3,(H,13,16)
InChIKeyYRZWKPOSCORNSN-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.05
Rot. Bonds3

About ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate

ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate (PubChem CID 174336343) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
PubChem CID174336343
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Nameethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)NCC1c1cc(F)n(C)n1
InChIInChI=1S/C11H14FN3O3/c1-3-18-11(17)9-6(5-13-10(9)16)7-4-8(12)15(2)14-7/h4,6,9H,3,5H2,1-2H3,(H,13,16)
InChIKeyYRZWKPOSCORNSN-UHFFFAOYSA-N
XLogP-0.05
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate (CID 174336343) is ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate is CCOC(=O)C1C(=O)NCC1c1cc(F)n(C)n1.
What is the InChIKey of ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate?
The InChIKey is YRZWKPOSCORNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-3-18-11(17)9-6(5-13-10(9)16)7-4-8(12)15(2)14-7/h4,6,9H,3,5H2,1-2H3,(H,13,16).
What are the key properties of ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate?
ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate has a molecular weight of 255.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-1-methylpyrazol-3-yl)-2-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 174336343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).