1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol

C10H16N2O2 — CID 131218916

IUPAC1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C10H16N2O2/c13-10-7-11-12(8-10)4-1-9-2-5-14-6-3-9/h7-9,13H,1-6H2
InChIKeyQPXJJWBDVFTZCW-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.41
Rot. Bonds3

About 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol

1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol (PubChem CID 131218916) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
PubChem CID131218916
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
SMILESOc1cnn(CCC2CCOCC2)c1
InChIInChI=1S/C10H16N2O2/c13-10-7-11-12(8-10)4-1-9-2-5-14-6-3-9/h7-9,13H,1-6H2
InChIKeyQPXJJWBDVFTZCW-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol (CID 131218916) is 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol is Oc1cnn(CCC2CCOCC2)c1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol?
The InChIKey is QPXJJWBDVFTZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10-7-11-12(8-10)4-1-9-2-5-14-6-3-9/h7-9,13H,1-6H2.
What are the key properties of 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol?
1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol has a molecular weight of 196.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol is sourced from PubChem (CID 131218916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).