(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid

C15H16N2O3 — CID 91662778

IUPAC(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10-4-2-3-5-12(10)17-13(6-8-16-17)14-11(15(18)19)7-9-20-14/h2-6,8,11,14H,7,9H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyGIJJCJWKEQFUJD-FZMZJTMJSA-N
MW272.30 g/mol
LogP2.34
Rot. Bonds3

About (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid

(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid (PubChem CID 91662778) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
PubChem CID91662778
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
SMILESCc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)O
InChIInChI=1S/C15H16N2O3/c1-10-4-2-3-5-12(10)17-13(6-8-16-17)14-11(15(18)19)7-9-20-14/h2-6,8,11,14H,7,9H2,1H3,(H,18,19)/t11-,14-/m0/s1
InChIKeyGIJJCJWKEQFUJD-FZMZJTMJSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid (CID 91662778) is (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid is Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)O.
What is the InChIKey of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
The InChIKey is GIJJCJWKEQFUJD-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-4-2-3-5-12(10)17-13(6-8-16-17)14-11(15(18)19)7-9-20-14/h2-6,8,11,14H,7,9H2,1H3,(H,18,19)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid?
(2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(2-methylphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid is sourced from PubChem (CID 91662778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).