3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

C10H15N3O2 — CID 67480043

IUPAC3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C2)nn1C
InChIInChI=1S/C10H15N3O2/c1-7-5-9(11-12(7)2)8-3-4-13(6-8)10(14)15/h5,8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyNMZLKXXJXFYFFK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.20
Rot. Bonds1

About 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid

3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (PubChem CID 67480043) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
PubChem CID67480043
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)O)C2)nn1C
InChIInChI=1S/C10H15N3O2/c1-7-5-9(11-12(7)2)8-3-4-13(6-8)10(14)15/h5,8H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyNMZLKXXJXFYFFK-UHFFFAOYSA-N
XLogP1.20
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid (CID 67480043) is 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is Cc1cc(C2CCN(C(=O)O)C2)nn1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is NMZLKXXJXFYFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-9(11-12(7)2)8-3-4-13(6-8)10(14)15/h5,8H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid?
3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67480043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).