1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one

C14H19N3O — CID 117365583

IUPAC1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(CC3CCCN3)c2)N1
InChIInChI=1S/C14H19N3O/c18-14-6-8-17(16-14)13-5-1-3-11(10-13)9-12-4-2-7-15-12/h1,3,5,10,12,15H,2,4,6-9H2,(H,16,18)
InChIKeyPOHNGICWVNTQEK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.22
Rot. Bonds3

About 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one

1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one (PubChem CID 117365583) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
PubChem CID117365583
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one
SMILESO=C1CCN(c2cccc(CC3CCCN3)c2)N1
InChIInChI=1S/C14H19N3O/c18-14-6-8-17(16-14)13-5-1-3-11(10-13)9-12-4-2-7-15-12/h1,3,5,10,12,15H,2,4,6-9H2,(H,16,18)
InChIKeyPOHNGICWVNTQEK-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117402493
1,4-dimethyl-3-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazol-2-one
CID 117431510
4-methyl-1-[3-(piperidin-2-ylmethyl)phenyl]piperazin-2-one
CID 117464076
1-[3-(2-aminooxyethyl)phenyl]pyrazolidin-3-one
CID 117315868
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
4-methyl-2-[3-(pyrrolidin-2-ylmethyl)phenyl]triazole
CID 117358210
2-methyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]imidazole
CID 117355719
5-cyclopropyl-1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazole
CID 117422199
1-(3-fluorophenyl)pyrazolidin-3-one
CID 70478682
2-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]pyrrolidine
CID 117359786
2-[[3-(2,2-difluoropropyl)phenyl]methyl]pyrrolidine
CID 117351207
1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one (CID 117365583) is 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one is O=C1CCN(c2cccc(CC3CCCN3)c2)N1.
What is the InChIKey of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
The InChIKey is POHNGICWVNTQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-14-6-8-17(16-14)13-5-1-3-11(10-13)9-12-4-2-7-15-12/h1,3,5,10,12,15H,2,4,6-9H2,(H,16,18).
What are the key properties of 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one?
1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one has a molecular weight of 245.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyrrolidin-2-ylmethyl)phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117365583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).