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

C18H24N4O2 — CID 97318950

IUPAC(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CN(C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-17(21(3)19-13)22-10-9-16(18(22)23)20(2)12-14-5-7-15(24-4)8-6-14/h5-8,11,16H,9-10,12H2,1-4H3/t16-/m1/s1
InChIKeyVMBOQVNRYFJQLE-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.97
Rot. Bonds5

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

(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one (PubChem CID 97318950) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one
PubChem CID97318950
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one
SMILESCOc1ccc(CN(C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1
InChIInChI=1S/C18H24N4O2/c1-13-11-17(21(3)19-13)22-10-9-16(18(22)23)20(2)12-14-5-7-15(24-4)8-6-14/h5-8,11,16H,9-10,12H2,1-4H3/t16-/m1/s1
InChIKeyVMBOQVNRYFJQLE-MRXNPFEDSA-N
XLogP1.97
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one (CID 97318950) is (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one is COc1ccc(CN(C)[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1.
What is the InChIKey of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one?
The InChIKey is VMBOQVNRYFJQLE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-11-17(21(3)19-13)22-10-9-16(18(22)23)20(2)12-14-5-7-15(24-4)8-6-14/h5-8,11,16H,9-10,12H2,1-4H3/t16-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one?
(3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylpyrazol-3-yl)-3-[(4-methoxyphenyl)methyl-methylamino]pyrrolidin-2-one is sourced from PubChem (CID 97318950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).