5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid

C14H21N3O3 — CID 63379473

IUPAC5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C14H21N3O3/c1-7(2)17-11(18)6-10(14(19)20)13(17)12-8(3)15-16(5)9(12)4/h7,10,13H,6H2,1-5H3,(H,19,20)
InChIKeyOJNDKKGUUHEAGA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.42
Rot. Bonds3

About 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63379473) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID63379473
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C(C)C
InChIInChI=1S/C14H21N3O3/c1-7(2)17-11(18)6-10(14(19)20)13(17)12-8(3)15-16(5)9(12)4/h7,10,13H,6H2,1-5H3,(H,19,20)
InChIKeyOJNDKKGUUHEAGA-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (CID 63379473) is 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is Cc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C(C)C.
What is the InChIKey of 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OJNDKKGUUHEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-7(2)17-11(18)6-10(14(19)20)13(17)12-8(3)15-16(5)9(12)4/h7,10,13H,6H2,1-5H3,(H,19,20).
What are the key properties of 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-propan-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).