1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C14H19N3O3 — CID 83191883

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H19N3O3/c18-13-7-10(14(19)20)8-16(13)9-11-5-6-17(15-11)12-3-1-2-4-12/h5-6,10,12H,1-4,7-9H2,(H,19,20)
InChIKeyIJNFWISLUOCUAA-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.43
Rot. Bonds4

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83191883) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83191883
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C14H19N3O3/c18-13-7-10(14(19)20)8-16(13)9-11-5-6-17(15-11)12-3-1-2-4-12/h5-6,10,12H,1-4,7-9H2,(H,19,20)
InChIKeyIJNFWISLUOCUAA-UHFFFAOYSA-N
XLogP1.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 83191883) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is IJNFWISLUOCUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13-7-10(14(19)20)8-16(13)9-11-5-6-17(15-11)12-3-1-2-4-12/h5-6,10,12H,1-4,7-9H2,(H,19,20).
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83191883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).