(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one

C12H20N4O — CID 178196676

IUPAC(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C
InChIInChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyKFUYVBYIRPTCSG-PWSUYJOCSA-N
MW236.32 g/mol
LogP0.74
Rot. Bonds2

About (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one

(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 178196676) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID178196676
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C
InChIInChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1
InChIKeyKFUYVBYIRPTCSG-PWSUYJOCSA-N
XLogP0.74
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.74
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-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one (CID 178196676) is (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is Cc1c([C@H]2[C@H](N)CC(=O)N2C(C)C)cnn1C.
What is the InChIKey of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is KFUYVBYIRPTCSG-PWSUYJOCSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)16-11(17)5-10(13)12(16)9-6-14-15(4)8(9)3/h6-7,10,12H,5,13H2,1-4H3/t10-,12+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one?
(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 178196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).