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

C12H20N2O4 — CID 54332033

IUPAC(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1cc(CC)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C12H20N2O4/c1-3-7-5-8(4-2)14(13-7)12-11(17)10(16)9(6-15)18-12/h5,9-12,15-17H,3-4,6H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeySYZZWOZTVRMXQM-DDHJBXDOSA-N
MW256.30 g/mol
LogP-0.38
Rot. Bonds4

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

(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 54332033) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID54332033
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCCc1cc(CC)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
InChIInChI=1S/C12H20N2O4/c1-3-7-5-8(4-2)14(13-7)12-11(17)10(16)9(6-15)18-12/h5,9-12,15-17H,3-4,6H2,1-2H3/t9-,10-,11-,12-/m1/s1
InChIKeySYZZWOZTVRMXQM-DDHJBXDOSA-N
XLogP-0.38
TPSA87.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 54332033) is (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is CCc1cc(CC)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1.
What is the InChIKey of (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is SYZZWOZTVRMXQM-DDHJBXDOSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-7-5-8(4-2)14(13-7)12-11(17)10(16)9(6-15)18-12/h5,9-12,15-17H,3-4,6H2,1-2H3/t9-,10-,11-,12-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 256.30 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(3,5-diethylpyrazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 54332033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).