[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol

C10H16N2O3 — CID 11009245

IUPAC[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol
SMILESOCc1cc(CO)n(C2CCCCO2)n1
InChIInChI=1S/C10H16N2O3/c13-6-8-5-9(7-14)12(11-8)10-3-1-2-4-15-10/h5,10,13-14H,1-4,6-7H2
InChIKeyJQFJKFQZAXJFHH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.57
Rot. Bonds3

About [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol

[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol (PubChem CID 11009245) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol
PubChem CID11009245
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol
SMILESOCc1cc(CO)n(C2CCCCO2)n1
InChIInChI=1S/C10H16N2O3/c13-6-8-5-9(7-14)12(11-8)10-3-1-2-4-15-10/h5,10,13-14H,1-4,6-7H2
InChIKeyJQFJKFQZAXJFHH-UHFFFAOYSA-N
XLogP0.57
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethyl-1H-pyrazol-5-yl)methanol
CID 2776363
(1,5-Dimethyl-1H-Pyrazol-3-Yl)Methanol
CID 2776366
(4H,6H,7H-pyrazolo(3,2-c)(1,4)oxazin-2-yl)methanol
CID 11845787
1-Methyl-3,5-bis(hydroxymethyl)-pyrazole
CID 84648737
(1-ethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 25247664
1-Ethyl-5-(trifluoromethyl)-1H-pyrazole-3-methanol
CID 50896820
[5-Methyl-2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 89395261
[5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]methanol
CID 90300192
(1-(2-methoxyethyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)methanol
CID 121210616
[2-(3-Methoxypropyl)-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 126744239
[2-(Methoxymethyl)-5-(trifluoromethyl)pyrazol-3-yl]methanol
CID 126744240
[5-Fluoro-1-(oxan-2-yl)pyrazol-3-yl]methanol
CID 168254778

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol (CID 11009245) is [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol is OCc1cc(CO)n(C2CCCCO2)n1.
What is the InChIKey of [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol?
The InChIKey is JQFJKFQZAXJFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-6-8-5-9(7-14)12(11-8)10-3-1-2-4-15-10/h5,10,13-14H,1-4,6-7H2.
What are the key properties of [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol?
[3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol has a molecular weight of 212.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-1-(oxan-2-yl)pyrazol-5-yl]methanol is sourced from PubChem (CID 11009245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).