2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide

C12H18N4O — CID 78339992

IUPAC2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
SMILESNC(=O)CNCC1CNNC1c1ccccc1
InChIInChI=1S/C12H18N4O/c13-11(17)8-14-6-10-7-15-16-12(10)9-4-2-1-3-5-9/h1-5,10,12,14-16H,6-8H2,(H2,13,17)
InChIKeyIYMQLDVCHZMUCK-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.47
Rot. Bonds5

About 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide

2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide (PubChem CID 78339992) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
PubChem CID78339992
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide
SMILESNC(=O)CNCC1CNNC1c1ccccc1
InChIInChI=1S/C12H18N4O/c13-11(17)8-14-6-10-7-15-16-12(10)9-4-2-1-3-5-9/h1-5,10,12,14-16H,6-8H2,(H2,13,17)
InChIKeyIYMQLDVCHZMUCK-UHFFFAOYSA-N
XLogP-0.47
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide?
The IUPAC name of 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide (CID 78339992) is 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide?
The canonical SMILES for 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide is NC(=O)CNCC1CNNC1c1ccccc1.
What is the InChIKey of 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide?
The InChIKey is IYMQLDVCHZMUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-11(17)8-14-6-10-7-15-16-12(10)9-4-2-1-3-5-9/h1-5,10,12,14-16H,6-8H2,(H2,13,17).
What are the key properties of 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide?
2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide has a molecular weight of 234.30 g/mol, XLogP of -0.47, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylpyrazolidin-4-yl)methylamino]acetamide is sourced from PubChem (CID 78339992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).