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

C19H27N5O — CID 95138958

IUPAC(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H27N5O/c1-14-16(18(22(2)3)23(4)21-14)12-20-17-10-11-24(19(17)25)13-15-8-6-5-7-9-15/h5-9,17,20H,10-13H2,1-4H3/t17-/m1/s1
InChIKeyFENSTVTVMWFXHW-QGZVFWFLSA-N
MW341.46 g/mol
LogP1.69
Rot. Bonds6

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

(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one (PubChem CID 95138958) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
PubChem CID95138958
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one
SMILESCc1nn(C)c(N(C)C)c1CN[C@@H]1CCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H27N5O/c1-14-16(18(22(2)3)23(4)21-14)12-20-17-10-11-24(19(17)25)13-15-8-6-5-7-9-15/h5-9,17,20H,10-13H2,1-4H3/t17-/m1/s1
InChIKeyFENSTVTVMWFXHW-QGZVFWFLSA-N
XLogP1.69
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.69
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-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one (CID 95138958) is (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one is Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCN(Cc2ccccc2)C1=O.
What is the InChIKey of (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
The InChIKey is FENSTVTVMWFXHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-16(18(22(2)3)23(4)21-14)12-20-17-10-11-24(19(17)25)13-15-8-6-5-7-9-15/h5-9,17,20H,10-13H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one?
(3R)-1-benzyl-3-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one has a molecular weight of 341.46 g/mol, XLogP of 1.69, 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-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]pyrrolidin-2-one is sourced from PubChem (CID 95138958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).