(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol

C13H16N2O3 — CID 63961353

IUPAC(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1cccc(C(O)c2ccnn2C)c1OC
InChIInChI=1S/C13H16N2O3/c1-15-10(7-8-14-15)12(16)9-5-4-6-11(17-2)13(9)18-3/h4-8,12,16H,1-3H3
InChIKeyUFIUXGMVCVGWGR-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.52
Rot. Bonds4

About (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol

(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 63961353) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID63961353
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1cccc(C(O)c2ccnn2C)c1OC
InChIInChI=1S/C13H16N2O3/c1-15-10(7-8-14-15)12(16)9-5-4-6-11(17-2)13(9)18-3/h4-8,12,16H,1-3H3
InChIKeyUFIUXGMVCVGWGR-UHFFFAOYSA-N
XLogP1.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554138
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(2,3-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2870378
isoquinolin-5-yl-(2-methylpyrazol-3-yl)methanol
CID 114554152
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799091
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135
3-[(2,3-dimethoxyphenyl)-hydroxymethyl]pyridine-2-carboxylic acid
CID 71306308
1-(2,3-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030726
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol (CID 63961353) is (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol is COc1cccc(C(O)c2ccnn2C)c1OC.
What is the InChIKey of (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is UFIUXGMVCVGWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15-10(7-8-14-15)12(16)9-5-4-6-11(17-2)13(9)18-3/h4-8,12,16H,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 248.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 63961353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).