(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

C18H24N4O2 — CID 94817453

IUPAC(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCOc1c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)nn1C
InChIInChI=1S/C18H24N4O2/c1-13-15(18(24-3)21(2)20-13)11-19-16-9-10-22(17(16)23)12-14-7-5-4-6-8-14/h4-8,16,19H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyRSLLXOVURVURAQ-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.63
Rot. Bonds6

About (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one

(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (PubChem CID 94817453) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
PubChem CID94817453
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
SMILESCOc1c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)nn1C
InChIInChI=1S/C18H24N4O2/c1-13-15(18(24-3)21(2)20-13)11-19-16-9-10-22(17(16)23)12-14-7-5-4-6-8-14/h4-8,16,19H,9-12H2,1-3H3/t16-/m1/s1
InChIKeyRSLLXOVURVURAQ-MRXNPFEDSA-N
XLogP1.63
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one (CID 94817453) is (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is COc1c(CN[C@@H]2CCN(Cc3ccccc3)C2=O)c(C)nn1C.
What is the InChIKey of (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
The InChIKey is RSLLXOVURVURAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-15(18(24-3)21(2)20-13)11-19-16-9-10-22(17(16)23)12-14-7-5-4-6-8-14/h4-8,16,19H,9-12H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one?
(3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one is sourced from PubChem (CID 94817453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).