(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one

C12H20N4O — CID 178196634

IUPAC(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCCn1nccc1[C@H]1[C@H](N)CC(=O)N1C(C)C
InChIInChI=1S/C12H20N4O/c1-4-15-10(5-6-14-15)12-9(13)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7,13H2,1-3H3/t9-,12-/m1/s1
InChIKeyYNSDIEPCQGASDF-BXKDBHETSA-N
MW236.32 g/mol
LogP0.91
Rot. Bonds3

About (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one

(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178196634) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID178196634
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCCn1nccc1[C@H]1[C@H](N)CC(=O)N1C(C)C
InChIInChI=1S/C12H20N4O/c1-4-15-10(5-6-14-15)12-9(13)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7,13H2,1-3H3/t9-,12-/m1/s1
InChIKeyYNSDIEPCQGASDF-BXKDBHETSA-N
XLogP0.91
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one (CID 178196634) is (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one is CCn1nccc1[C@H]1[C@H](N)CC(=O)N1C(C)C.
What is the InChIKey of (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is YNSDIEPCQGASDF-BXKDBHETSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-15-10(5-6-14-15)12-9(13)7-11(17)16(12)8(2)3/h5-6,8-9,12H,4,7,13H2,1-3H3/t9-,12-/m1/s1.
What are the key properties of (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178196634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).