[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol

C10H16N2O2 — CID 121207451

IUPAC[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CC2CCCOC2)c1
InChIInChI=1S/C10H16N2O2/c13-7-10-4-11-12(6-10)5-9-2-1-3-14-8-9/h4,6,9,13H,1-3,5,7-8H2
InChIKeyLYDPAXOXJIFXKH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.80
Rot. Bonds3

About [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol

[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol (PubChem CID 121207451) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
PubChem CID121207451
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
SMILESOCc1cnn(CC2CCCOC2)c1
InChIInChI=1S/C10H16N2O2/c13-7-10-4-11-12(6-10)5-9-2-1-3-14-8-9/h4,6,9,13H,1-3,5,7-8H2
InChIKeyLYDPAXOXJIFXKH-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
CID 129368074
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
4-ethynyl-1-(oxan-3-ylmethyl)pyrazole
CID 122240733
1-[1-(oxan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 122240744
(E)-3-[1-(oxan-3-ylmethyl)pyrazol-4-yl]prop-2-enoic acid
CID 122240734
3-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-1-amine
CID 122240718
1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]propan-2-amine
CID 62731505
2-(1-methylpyrazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 80682621
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-yl]methanol
CID 79549795
1-(oxan-3-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 103660129
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol (CID 121207451) is [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol is OCc1cnn(CC2CCCOC2)c1.
What is the InChIKey of [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol?
The InChIKey is LYDPAXOXJIFXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-7-10-4-11-12(6-10)5-9-2-1-3-14-8-9/h4,6,9,13H,1-3,5,7-8H2.
What are the key properties of [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol?
[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 121207451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).