5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid

C8H9N3O3 — CID 43539700

IUPAC5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C8H9N3O3/c12-7-1-5(8(13)14)4-11(7)6-2-9-10-3-6/h2-3,5H,1,4H2,(H,9,10)(H,13,14)
InChIKeyOXTYWNUUIMVAGL-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.15
Rot. Bonds2

About 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 43539700) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID43539700
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2cn[nH]c2)C1
InChIInChI=1S/C8H9N3O3/c12-7-1-5(8(13)14)4-11(7)6-2-9-10-3-6/h2-3,5H,1,4H2,(H,9,10)(H,13,14)
InChIKeyOXTYWNUUIMVAGL-UHFFFAOYSA-N
XLogP-0.15
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid (CID 43539700) is 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2cn[nH]c2)C1.
What is the InChIKey of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OXTYWNUUIMVAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-1-5(8(13)14)4-11(7)6-2-9-10-3-6/h2-3,5H,1,4H2,(H,9,10)(H,13,14).
What are the key properties of 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 43539700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).