1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one

C15H22N4O — CID 117438738

IUPAC1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
SMILESCN1CC(CN)CC1c1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C15H22N4O/c1-18-10-11(9-16)7-14(18)12-3-2-4-13(8-12)19-6-5-15(20)17-19/h2-4,8,11,14H,5-7,9-10,16H2,1H3,(H,17,20)
InChIKeyRDSNPBIHRFXBOA-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.88
Rot. Bonds3

About 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one

1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one (PubChem CID 117438738) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
PubChem CID117438738
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one
SMILESCN1CC(CN)CC1c1cccc(N2CCC(=O)N2)c1
InChIInChI=1S/C15H22N4O/c1-18-10-11(9-16)7-14(18)12-3-2-4-13(8-12)19-6-5-15(20)17-19/h2-4,8,11,14H,5-7,9-10,16H2,1H3,(H,17,20)
InChIKeyRDSNPBIHRFXBOA-UHFFFAOYSA-N
XLogP0.88
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one?
The IUPAC name of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one (CID 117438738) is 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one.
What is the SMILES notation for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one?
The canonical SMILES for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one is CN1CC(CN)CC1c1cccc(N2CCC(=O)N2)c1.
What is the InChIKey of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one?
The InChIKey is RDSNPBIHRFXBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-18-10-11(9-16)7-14(18)12-3-2-4-13(8-12)19-6-5-15(20)17-19/h2-4,8,11,14H,5-7,9-10,16H2,1H3,(H,17,20).
What are the key properties of 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one?
1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one has a molecular weight of 274.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]pyrazolidin-3-one is sourced from PubChem (CID 117438738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).