1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one

C15H26N4O — CID 95582588

IUPAC1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@@H](CN1CCCC1=O)NCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11(10-19-7-5-6-13(19)20)16-8-12-9-17-18-14(12)15(2,3)4/h9,11,16H,5-8,10H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyMFDGVFXIQOZMFF-NSHDSACASA-N
MW278.40 g/mol
LogP1.81
Rot. Bonds5

About 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one

1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 95582588) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
PubChem CID95582588
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
SMILESC[C@@H](CN1CCCC1=O)NCc1cn[nH]c1C(C)(C)C
InChIInChI=1S/C15H26N4O/c1-11(10-19-7-5-6-13(19)20)16-8-12-9-17-18-14(12)15(2,3)4/h9,11,16H,5-8,10H2,1-4H3,(H,17,18)/t11-/m0/s1
InChIKeyMFDGVFXIQOZMFF-NSHDSACASA-N
XLogP1.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one (CID 95582588) is 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is C[C@@H](CN1CCCC1=O)NCc1cn[nH]c1C(C)(C)C.
What is the InChIKey of 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is MFDGVFXIQOZMFF-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(10-19-7-5-6-13(19)20)16-8-12-9-17-18-14(12)15(2,3)4/h9,11,16H,5-8,10H2,1-4H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one?
1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95582588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).