(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one

C10H16N4O — CID 178191748

IUPAC(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
SMILESCc1nn(C)cc1[C@H]1[C@H](N)CC(=O)N1C
InChIInChI=1S/C10H16N4O/c1-6-7(5-13(2)12-6)10-8(11)4-9(15)14(10)3/h5,8,10H,4,11H2,1-3H3/t8-,10+/m1/s1
InChIKeyZLLDUGHDBCKLJU-SCZZXKLOSA-N
MW208.26 g/mol
LogP-0.04
Rot. Bonds1

About (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one

(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one (PubChem CID 178191748) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
PubChem CID178191748
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one
SMILESCc1nn(C)cc1[C@H]1[C@H](N)CC(=O)N1C
InChIInChI=1S/C10H16N4O/c1-6-7(5-13(2)12-6)10-8(11)4-9(15)14(10)3/h5,8,10H,4,11H2,1-3H3/t8-,10+/m1/s1
InChIKeyZLLDUGHDBCKLJU-SCZZXKLOSA-N
XLogP-0.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.04
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-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one (CID 178191748) is (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one is Cc1nn(C)cc1[C@H]1[C@H](N)CC(=O)N1C.
What is the InChIKey of (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
The InChIKey is ZLLDUGHDBCKLJU-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-7(5-13(2)12-6)10-8(11)4-9(15)14(10)3/h5,8,10H,4,11H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of (4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one?
(4R,5S)-4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of -0.04, 1 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-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 178191748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).