[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol

C9H14N2O2 — CID 129368074

IUPAC[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C9H14N2O2/c12-6-9-3-10-11(5-9)4-8-1-2-13-7-8/h3,5,8,12H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyQTUMRVLMJSWVQJ-QMMMGPOBSA-N
MW182.22 g/mol
LogP0.41
Rot. Bonds3

About [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol

[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol (PubChem CID 129368074) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
PubChem CID129368074
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol
SMILESOCc1cnn(C[C@@H]2CCOC2)c1
InChIInChI=1S/C9H14N2O2/c12-6-9-3-10-11(5-9)4-8-1-2-13-7-8/h3,5,8,12H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyQTUMRVLMJSWVQJ-QMMMGPOBSA-N
XLogP0.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxan-3-ylmethyl)pyrazol-4-yl]methanol
CID 121207451
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
1-[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129368054
[1-(oxolan-3-ylmethyl)triazol-4-yl]methanol
CID 62400526
(1S)-1-[1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanamine
CID 130791829
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-yl]methanol
CID 79549795
[1-(oxan-4-ylmethyl)pyrazol-4-yl]boronic acid
CID 166595096
1-[1-[[(3S)-oxan-3-yl]methyl]pyrazol-4-yl]ethanone
CID 129498995
[5-[1-(oxan-4-ylmethyl)pyrazol-4-yl]naphthalen-2-yl]methanol
CID 172677635
4-ethynyl-1-(oxan-3-ylmethyl)pyrazole
CID 122240733

Frequently Asked Questions

What is the IUPAC name of [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol (CID 129368074) is [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol is OCc1cnn(C[C@@H]2CCOC2)c1.
What is the InChIKey of [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol?
The InChIKey is QTUMRVLMJSWVQJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-6-9-3-10-11(5-9)4-8-1-2-13-7-8/h3,5,8,12H,1-2,4,6-7H2/t8-/m0/s1.
What are the key properties of [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol?
[1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3S)-oxolan-3-yl]methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 129368074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).