(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol

C8H12N2O4 — CID 10750516

IUPAC(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)4-1-2-9-10-4/h1-2,5-8,11-13H,3H2,(H,9,10)/t5-,6-,7-,8+/m1/s1
InChIKeyKZCRRBCJQFFOHU-XUTVFYLZSA-N
MW200.19 g/mol
LogP-1.44
Rot. Bonds2

About (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol

(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol (PubChem CID 10750516) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
PubChem CID10750516
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol
SMILESOC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O
InChIInChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)4-1-2-9-10-4/h1-2,5-8,11-13H,3H2,(H,9,10)/t5-,6-,7-,8+/m1/s1
InChIKeyKZCRRBCJQFFOHU-XUTVFYLZSA-N
XLogP-1.44
TPSA98.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol with MolForge

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Related Compounds

3-(oxolan-2-yl)-1H-pyrazole
CID 118097404
[5-(1H-pyrazol-5-yl)oxolan-2-yl]methanamine
CID 122163866
rac-(2R,5S)-5-(1H-pyrazol-3-yl)oxolane-2-carboxylic acid
CID 165941629
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909973
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4S,5R)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134909983
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-[(4R,5S)-2,2-dimethyl-5-(1H-pyrazol-5-yl)-1,3-dioxolan-4-yl]methanol
CID 134910074
5-[(3aR,4R,6R,6aR)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-1H-pyrazole
CID 18336840
2-methoxy-1-(1H-pyrazol-5-yl)ethanol
CID 57094725
[(3S,4S,5S)-4,5-dimethyl-2-(1H-pyrazol-5-yl)oxolan-3-yl]oxyphosphane
CID 59067630
5-(oxan-2-yl)-1H-pyrazole
CID 66729536
1-methoxy-1-(1H-pyrazol-5-yl)propan-2-ol
CID 67674860
(2R,3S,4R,5R)-2-(hydroxymethyl)-6-(1H-pyrazol-5-yl)oxane-3,4,5-triol
CID 68864620

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol (CID 10750516) is (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol is OC[C@H]1O[C@@H](c2ccn[nH]2)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol?
The InChIKey is KZCRRBCJQFFOHU-XUTVFYLZSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-3-5-6(12)7(13)8(14-5)4-1-2-9-10-4/h1-2,5-8,11-13H,3H2,(H,9,10)/t5-,6-,7-,8+/m1/s1.
What are the key properties of (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol?
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol has a molecular weight of 200.19 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-2-(hydroxymethyl)-5-(1H-pyrazol-5-yl)oxolane-3,4-diol is sourced from PubChem (CID 10750516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).