1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one

C14H19N3O — CID 117365540

IUPAC1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C14H19N3O/c1-16-13(18)7-10-17(16)12-5-3-11(4-6-12)14(15)8-2-9-14/h3-6H,2,7-10,15H2,1H3
InChIKeyBEFBUXTVLXVFLI-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.61
Rot. Bonds2

About 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one

1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one (PubChem CID 117365540) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one.

Molecular Properties

Compound Name1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one
PubChem CID117365540
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one
SMILESCN1C(=O)CCN1c1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C14H19N3O/c1-16-13(18)7-10-17(16)12-5-3-11(4-6-12)14(15)8-2-9-14/h3-6H,2,7-10,15H2,1H3
InChIKeyBEFBUXTVLXVFLI-UHFFFAOYSA-N
XLogP1.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one?
The IUPAC name of 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one (CID 117365540) is 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one.
What is the SMILES notation for 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one?
The canonical SMILES for 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one is CN1C(=O)CCN1c1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one?
The InChIKey is BEFBUXTVLXVFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-13(18)7-10-17(16)12-5-3-11(4-6-12)14(15)8-2-9-14/h3-6H,2,7-10,15H2,1H3.
What are the key properties of 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one?
1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one has a molecular weight of 245.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminocyclobutyl)phenyl]-2-methylpyrazolidin-3-one is sourced from PubChem (CID 117365540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).