(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid

C11H16N2O3 — CID 86812166

IUPAC(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyVOHQSEWJVVPGDD-WPRPVWTQSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds2

About (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid

(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid (PubChem CID 86812166) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
PubChem CID86812166
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m0/s1
InChIKeyVOHQSEWJVVPGDD-WPRPVWTQSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid (CID 86812166) is (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The InChIKey is VOHQSEWJVVPGDD-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid?
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 86812166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).