[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol

C13H14N2O4 — CID 55013145

IUPAC[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OCCn1cccn1)OCO2
InChIInChI=1S/C13H14N2O4/c16-8-10-6-12-13(19-9-18-12)7-11(10)17-5-4-15-3-1-2-14-15/h1-3,6-7,16H,4-5,8-9H2
InChIKeySIWZJRPXGMXHGI-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.18
Rot. Bonds5

About [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol

[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol (PubChem CID 55013145) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol.

Molecular Properties

Compound Name[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
PubChem CID55013145
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol
SMILESOCc1cc2c(cc1OCCn1cccn1)OCO2
InChIInChI=1S/C13H14N2O4/c16-8-10-6-12-13(19-9-18-12)7-11(10)17-5-4-15-3-1-2-14-15/h1-3,6-7,16H,4-5,8-9H2
InChIKeySIWZJRPXGMXHGI-UHFFFAOYSA-N
XLogP1.18
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
CID 54961991
[6-[2-(1-methylpiperidin-2-yl)ethoxy]-1,3-benzodioxol-5-yl]methanol
CID 107912808
[6-(2-methylidenebutoxy)-1,3-benzodioxol-5-yl]methanol
CID 66045725
[5-bromo-3-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]methanol
CID 112620958
[4-(2-pyrazol-1-ylethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 63320707
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
5-[[6-(hydroxymethyl)-1,3-benzodioxol-5-yl]oxy]-2,2-dimethylpentanenitrile
CID 65255769
3-(2-pyrazol-1-ylethoxy)naphthalene-2-carboxylic acid
CID 61491780
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 95352501
[6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1,3-benzodioxol-5-yl]methanol
CID 55013005
[6-(cyclohexylmethoxy)-1,3-benzodioxol-5-yl]methanol
CID 55012960
[5-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]boronic acid
CID 54962304

Frequently Asked Questions

What is the IUPAC name of [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol?
The IUPAC name of [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol (CID 55013145) is [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol.
What is the SMILES notation for [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol?
The canonical SMILES for [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol is OCc1cc2c(cc1OCCn1cccn1)OCO2.
What is the InChIKey of [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol?
The InChIKey is SIWZJRPXGMXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-8-10-6-12-13(19-9-18-12)7-11(10)17-5-4-15-3-1-2-14-15/h1-3,6-7,16H,4-5,8-9H2.
What are the key properties of [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol?
[6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol has a molecular weight of 262.26 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-pyrazol-1-ylethoxy)-1,3-benzodioxol-5-yl]methanol is sourced from PubChem (CID 55013145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).