(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid

C15H16N2O3 — CID 124709996

IUPAC(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(19)12-7-9-20-14(12)13-6-8-16-17(13)10-11-4-2-1-3-5-11/h1-6,8,12,14H,7,9-10H2,(H,18,19)/t12-,14-/m1/s1
InChIKeyQTVVJRZSEMUYQK-TZMCWYRMSA-N
MW272.30 g/mol
LogP2.09
Rot. Bonds4

About (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid

(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid (PubChem CID 124709996) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid
PubChem CID124709996
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCO[C@H]1c1ccnn1Cc1ccccc1
InChIInChI=1S/C15H16N2O3/c18-15(19)12-7-9-20-14(12)13-6-8-16-17(13)10-11-4-2-1-3-5-11/h1-6,8,12,14H,7,9-10H2,(H,18,19)/t12-,14-/m1/s1
InChIKeyQTVVJRZSEMUYQK-TZMCWYRMSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

E 4018
CID 132411
rac-(2R,3R)-2-(1-benzyl-1H-pyrazol-4-yl)oxolane-3-carboxylic acid
CID 124254093
rac-(2R,3R)-2-[1-(2-methoxyphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 125528761
rac-(2R,3R)-2-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)oxolane-3-carboxylic acid
CID 125528789
(2S,3S)-2-[1-(2-methylphenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662778
1-(2-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361449
1-(4-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361450
1-(3-Fluorophenyl)-5-(oxolan-2-yl)pyrazole-4-carboxylic acid
CID 82361451
(2S,3S)-2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 91662779
(2S,3S)-N-(2,3-difluorophenyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 122146628
2-[1-(4-fluorophenyl)-1H-pyrazol-5-yl]oxolane-3-carboxylic acid
CID 122360336
(2R,3S)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
CID 125528790

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid (CID 124709996) is (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid is O=C(O)[C@@H]1CCO[C@H]1c1ccnn1Cc1ccccc1.
What is the InChIKey of (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid?
The InChIKey is QTVVJRZSEMUYQK-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)12-7-9-20-14(12)13-6-8-16-17(13)10-11-4-2-1-3-5-11/h1-6,8,12,14H,7,9-10H2,(H,18,19)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid?
(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 124709996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).