1-phenyl-5-propoxypyrazolidine

C12H18N2O — CID 91305672

IUPAC1-phenyl-5-propoxypyrazolidine
SMILESCCCOC1CCNN1c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-10-15-12-8-9-13-14(12)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyUCDDNYHEJZKTQN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds4

About 1-phenyl-5-propoxypyrazolidine

1-phenyl-5-propoxypyrazolidine (PubChem CID 91305672) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-phenyl-5-propoxypyrazolidine.

Molecular Properties

Compound Name1-phenyl-5-propoxypyrazolidine
PubChem CID91305672
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-phenyl-5-propoxypyrazolidine
SMILESCCCOC1CCNN1c1ccccc1
InChIInChI=1S/C12H18N2O/c1-2-10-15-12-8-9-13-14(12)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3
InChIKeyUCDDNYHEJZKTQN-UHFFFAOYSA-N
XLogP2.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-propoxypyrazolidine?
The IUPAC name of 1-phenyl-5-propoxypyrazolidine (CID 91305672) is 1-phenyl-5-propoxypyrazolidine.
What is the SMILES notation for 1-phenyl-5-propoxypyrazolidine?
The canonical SMILES for 1-phenyl-5-propoxypyrazolidine is CCCOC1CCNN1c1ccccc1.
What is the InChIKey of 1-phenyl-5-propoxypyrazolidine?
The InChIKey is UCDDNYHEJZKTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-10-15-12-8-9-13-14(12)11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3.
What are the key properties of 1-phenyl-5-propoxypyrazolidine?
1-phenyl-5-propoxypyrazolidine has a molecular weight of 206.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-propoxypyrazolidine is sourced from PubChem (CID 91305672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).