[1-(oxolan-3-yl)pyrazol-3-yl]methanol

C8H12N2O2 — CID 168728333

IUPAC[1-(oxolan-3-yl)pyrazol-3-yl]methanol
SMILESOCc1ccn(C2CCOC2)n1
InChIInChI=1S/C8H12N2O2/c11-5-7-1-3-10(9-7)8-2-4-12-6-8/h1,3,8,11H,2,4-6H2
InChIKeyHVRITRNCXZIUQD-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.34
Rot. Bonds2

About [1-(oxolan-3-yl)pyrazol-3-yl]methanol

[1-(oxolan-3-yl)pyrazol-3-yl]methanol (PubChem CID 168728333) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is [1-(oxolan-3-yl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-(oxolan-3-yl)pyrazol-3-yl]methanol
PubChem CID168728333
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name[1-(oxolan-3-yl)pyrazol-3-yl]methanol
SMILESOCc1ccn(C2CCOC2)n1
InChIInChI=1S/C8H12N2O2/c11-5-7-1-3-10(9-7)8-2-4-12-6-8/h1,3,8,11H,2,4-6H2
InChIKeyHVRITRNCXZIUQD-UHFFFAOYSA-N
XLogP0.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-3-yl)pyrazol-3-yl]methanol?
The IUPAC name of [1-(oxolan-3-yl)pyrazol-3-yl]methanol (CID 168728333) is [1-(oxolan-3-yl)pyrazol-3-yl]methanol.
What is the SMILES notation for [1-(oxolan-3-yl)pyrazol-3-yl]methanol?
The canonical SMILES for [1-(oxolan-3-yl)pyrazol-3-yl]methanol is OCc1ccn(C2CCOC2)n1.
What is the InChIKey of [1-(oxolan-3-yl)pyrazol-3-yl]methanol?
The InChIKey is HVRITRNCXZIUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-5-7-1-3-10(9-7)8-2-4-12-6-8/h1,3,8,11H,2,4-6H2.
What are the key properties of [1-(oxolan-3-yl)pyrazol-3-yl]methanol?
[1-(oxolan-3-yl)pyrazol-3-yl]methanol has a molecular weight of 168.20 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-3-yl)pyrazol-3-yl]methanol is sourced from PubChem (CID 168728333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).