3-(2-methylpyrazol-3-yl)oxolan-3-ol

C8H12N2O2 — CID 63960932

IUPAC3-(2-methylpyrazol-3-yl)oxolan-3-ol
SMILESCn1nccc1C1(O)CCOC1
InChIInChI=1S/C8H12N2O2/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3
InChIKeyKVDDTWJHNBCISZ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.03
Rot. Bonds1

About 3-(2-methylpyrazol-3-yl)oxolan-3-ol

3-(2-methylpyrazol-3-yl)oxolan-3-ol (PubChem CID 63960932) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)oxolan-3-ol.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)oxolan-3-ol
PubChem CID63960932
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-(2-methylpyrazol-3-yl)oxolan-3-ol
SMILESCn1nccc1C1(O)CCOC1
InChIInChI=1S/C8H12N2O2/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3
InChIKeyKVDDTWJHNBCISZ-UHFFFAOYSA-N
XLogP0.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)oxolan-3-ol?
The IUPAC name of 3-(2-methylpyrazol-3-yl)oxolan-3-ol (CID 63960932) is 3-(2-methylpyrazol-3-yl)oxolan-3-ol.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)oxolan-3-ol?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)oxolan-3-ol is Cn1nccc1C1(O)CCOC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)oxolan-3-ol?
The InChIKey is KVDDTWJHNBCISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-7(2-4-9-10)8(11)3-5-12-6-8/h2,4,11H,3,5-6H2,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)oxolan-3-ol?
3-(2-methylpyrazol-3-yl)oxolan-3-ol has a molecular weight of 168.20 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)oxolan-3-ol is sourced from PubChem (CID 63960932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).