3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H15N3O3 — CID 102775818

IUPAC3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnn2C)C1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-4-6-14(9(7)11(16)17)10(15)8-3-5-12-13(8)2/h3,5,7,9H,4,6H2,1-2H3,(H,16,17)
InChIKeyNHEZLDLZVGKBSS-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.36
Rot. Bonds2

About 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775818) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775818
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)c2ccnn2C)C1C(=O)O
InChIInChI=1S/C11H15N3O3/c1-7-4-6-14(9(7)11(16)17)10(15)8-3-5-12-13(8)2/h3,5,7,9H,4,6H2,1-2H3,(H,16,17)
InChIKeyNHEZLDLZVGKBSS-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 102775818) is 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)c2ccnn2C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NHEZLDLZVGKBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-6-14(9(7)11(16)17)10(15)8-3-5-12-13(8)2/h3,5,7,9H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).