5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol

C12H18N2O2 — CID 118300666

IUPAC5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol
SMILESCOc1ccc(C2CC(O)N(C)N2)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-9(4-5-11(8)16-3)10-7-12(15)14(2)13-10/h4-6,10,12-13,15H,7H2,1-3H3
InChIKeyDRXJGCXSKOAIBN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds2

About 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol

5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol (PubChem CID 118300666) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol.

Molecular Properties

Compound Name5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol
PubChem CID118300666
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol
SMILESCOc1ccc(C2CC(O)N(C)N2)cc1C
InChIInChI=1S/C12H18N2O2/c1-8-6-9(4-5-11(8)16-3)10-7-12(15)14(2)13-10/h4-6,10,12-13,15H,7H2,1-3H3
InChIKeyDRXJGCXSKOAIBN-UHFFFAOYSA-N
XLogP1.20
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol?
The IUPAC name of 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol (CID 118300666) is 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol.
What is the SMILES notation for 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol?
The canonical SMILES for 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol is COc1ccc(C2CC(O)N(C)N2)cc1C.
What is the InChIKey of 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol?
The InChIKey is DRXJGCXSKOAIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-9(4-5-11(8)16-3)10-7-12(15)14(2)13-10/h4-6,10,12-13,15H,7H2,1-3H3.
What are the key properties of 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol?
5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-methylphenyl)-2-methylpyrazolidin-3-ol is sourced from PubChem (CID 118300666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).