(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

C13H22N4O — CID 178196683

IUPAC(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)C[C@@H](N)[C@@H]1c1cnn(C(C)C)c1
InChIInChI=1S/C13H22N4O/c1-8(2)16-7-10(6-15-16)13-11(14)5-12(18)17(13)9(3)4/h6-9,11,13H,5,14H2,1-4H3/t11-,13+/m1/s1
InChIKeyUHSNNAXGMPLTRV-YPMHNXCESA-N
MW250.35 g/mol
LogP1.47
Rot. Bonds3

About (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 178196683) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID178196683
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC(C)N1C(=O)C[C@@H](N)[C@@H]1c1cnn(C(C)C)c1
InChIInChI=1S/C13H22N4O/c1-8(2)16-7-10(6-15-16)13-11(14)5-12(18)17(13)9(3)4/h6-9,11,13H,5,14H2,1-4H3/t11-,13+/m1/s1
InChIKeyUHSNNAXGMPLTRV-YPMHNXCESA-N
XLogP1.47
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 178196683) is (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CC(C)N1C(=O)C[C@@H](N)[C@@H]1c1cnn(C(C)C)c1.
What is the InChIKey of (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is UHSNNAXGMPLTRV-YPMHNXCESA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)16-7-10(6-15-16)13-11(14)5-12(18)17(13)9(3)4/h6-9,11,13H,5,14H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 178196683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).