1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid

C10H13N3O3 — CID 102805640

IUPAC1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
SMILESCc1nn(C)cc1N1CCC(C(=O)O)C1=O
InChIInChI=1S/C10H13N3O3/c1-6-8(5-12(2)11-6)13-4-3-7(9(13)14)10(15)16/h5,7H,3-4H2,1-2H3,(H,15,16)
InChIKeyIUNWSOBYLHLYHP-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.17
Rot. Bonds2

About 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid

1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 102805640) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID102805640
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
SMILESCc1nn(C)cc1N1CCC(C(=O)O)C1=O
InChIInChI=1S/C10H13N3O3/c1-6-8(5-12(2)11-6)13-4-3-7(9(13)14)10(15)16/h5,7H,3-4H2,1-2H3,(H,15,16)
InChIKeyIUNWSOBYLHLYHP-UHFFFAOYSA-N
XLogP0.17
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid (CID 102805640) is 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid is Cc1nn(C)cc1N1CCC(C(=O)O)C1=O.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IUNWSOBYLHLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-8(5-12(2)11-6)13-4-3-7(9(13)14)10(15)16/h5,7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid?
1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102805640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).