3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol

C11H16N2O3 — CID 86103756

IUPAC3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
SMILESCOc1ccc(C2(O)CC(C)(O)NN2)cc1
InChIInChI=1S/C11H16N2O3/c1-10(14)7-11(15,13-12-10)8-3-5-9(16-2)6-4-8/h3-6,12-15H,7H2,1-2H3
InChIKeyOWBXRSJLBGVZFI-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds2

About 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol

3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol (PubChem CID 86103756) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
PubChem CID86103756
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol
SMILESCOc1ccc(C2(O)CC(C)(O)NN2)cc1
InChIInChI=1S/C11H16N2O3/c1-10(14)7-11(15,13-12-10)8-3-5-9(16-2)6-4-8/h3-6,12-15H,7H2,1-2H3
InChIKeyOWBXRSJLBGVZFI-UHFFFAOYSA-N
XLogP0.05
TPSA73.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol?
The IUPAC name of 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol (CID 86103756) is 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol is COc1ccc(C2(O)CC(C)(O)NN2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol?
The InChIKey is OWBXRSJLBGVZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-10(14)7-11(15,13-12-10)8-3-5-9(16-2)6-4-8/h3-6,12-15H,7H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol?
3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol has a molecular weight of 224.26 g/mol, XLogP of 0.05, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methylpyrazolidine-3,5-diol is sourced from PubChem (CID 86103756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).