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

C14H19N3O3 — CID 63379705

IUPAC1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C1CC1
InChIInChI=1S/C14H19N3O3/c1-7-12(8(2)16(3)15-7)13-10(14(19)20)6-11(18)17(13)9-4-5-9/h9-10,13H,4-6H2,1-3H3,(H,19,20)
InChIKeyXJDLUWMMTWNIFO-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.17
Rot. Bonds3

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

1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 63379705) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID63379705
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C1CC1
InChIInChI=1S/C14H19N3O3/c1-7-12(8(2)16(3)15-7)13-10(14(19)20)6-11(18)17(13)9-4-5-9/h9-10,13H,4-6H2,1-3H3,(H,19,20)
InChIKeyXJDLUWMMTWNIFO-UHFFFAOYSA-N
XLogP1.17
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid (CID 63379705) is 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is Cc1nn(C)c(C)c1C1C(C(=O)O)CC(=O)N1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is XJDLUWMMTWNIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-7-12(8(2)16(3)15-7)13-10(14(19)20)6-11(18)17(13)9-4-5-9/h9-10,13H,4-6H2,1-3H3,(H,19,20).
What are the key properties of 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-oxo-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63379705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).