(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid

C10H14N2O3 — CID 124681119

IUPAC(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCCn1cc([C@H]2OCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-12-6-7(5-11-12)9-8(10(13)14)3-4-15-9/h5-6,8-9H,2-4H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyNONCPJOZOLMXFK-RKDXNWHRSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds3

About (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid

(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid (PubChem CID 124681119) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
PubChem CID124681119
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
SMILESCCn1cc([C@H]2OCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C10H14N2O3/c1-2-12-6-7(5-11-12)9-8(10(13)14)3-4-15-9/h5-6,8-9H,2-4H2,1H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyNONCPJOZOLMXFK-RKDXNWHRSA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanone
CID 155955008
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)oxolane-3-carboxamide
CID 129005643
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 129005878
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(3-methyl-1,2-thiazol-5-yl)oxolane-3-carboxamide
CID 128996390
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
(2S,3S)-2-(1-ethylpyrazol-4-yl)-N-(4-hydroxy-1-methoxybutan-2-yl)oxolane-3-carboxamide
CID 128995570
[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone
CID 128736435

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The IUPAC name of (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid (CID 124681119) is (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid.
What is the SMILES notation for (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The canonical SMILES for (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid is CCn1cc([C@H]2OCC[C@H]2C(=O)O)cn1.
What is the InChIKey of (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid?
The InChIKey is NONCPJOZOLMXFK-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12-6-7(5-11-12)9-8(10(13)14)3-4-15-9/h5-6,8-9H,2-4H2,1H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid?
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid is sourced from PubChem (CID 124681119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).