(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde

C10H14N2O2 — CID 122164541

IUPAC(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C=O
InChIInChI=1S/C10H14N2O2/c1-12-9(4-5-11-12)10-8(7-13)3-2-6-14-10/h4-5,7-8,10H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKeyTXXSTIZMKHZDTD-WCBMZHEXSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds2

About (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde

(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde (PubChem CID 122164541) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde
PubChem CID122164541
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C=O
InChIInChI=1S/C10H14N2O2/c1-12-9(4-5-11-12)10-8(7-13)3-2-6-14-10/h4-5,7-8,10H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKeyTXXSTIZMKHZDTD-WCBMZHEXSA-N
XLogP1.09
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde?
The IUPAC name of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde (CID 122164541) is (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde.
What is the SMILES notation for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde?
The canonical SMILES for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde is Cn1nccc1[C@@H]1OCCC[C@H]1C=O.
What is the InChIKey of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde?
The InChIKey is TXXSTIZMKHZDTD-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-9(4-5-11-12)10-8(7-13)3-2-6-14-10/h4-5,7-8,10H,2-3,6H2,1H3/t8-,10+/m0/s1.
What are the key properties of (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde?
(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carbaldehyde is sourced from PubChem (CID 122164541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).