1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

C13H19N3O3 — CID 102801358

IUPAC1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C
InChIInChI=1S/C13H19N3O3/c1-4-13(12(18)19)6-5-7-16(13)11(17)10-8-15(3)14-9(10)2/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyYGSLHMWCFAARBY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds3

About 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid

1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 102801358) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID102801358
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C
InChIInChI=1S/C13H19N3O3/c1-4-13(12(18)19)6-5-7-16(13)11(17)10-8-15(3)14-9(10)2/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyYGSLHMWCFAARBY-UHFFFAOYSA-N
XLogP1.20
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid (CID 102801358) is 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is YGSLHMWCFAARBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-13(12(18)19)6-5-7-16(13)11(17)10-8-15(3)14-9(10)2/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid?
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).