5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

C12H19N3O — CID 104687395

IUPAC5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CC1(C)CCC(=O)N1
InChIInChI=1S/C12H19N3O/c1-8-10(9(2)15(4)14-8)7-12(3)6-5-11(16)13-12/h5-7H2,1-4H3,(H,13,16)
InChIKeyLIAPCTZDMQVZCT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.25
Rot. Bonds2

About 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 104687395) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID104687395
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CC1(C)CCC(=O)N1
InChIInChI=1S/C12H19N3O/c1-8-10(9(2)15(4)14-8)7-12(3)6-5-11(16)13-12/h5-7H2,1-4H3,(H,13,16)
InChIKeyLIAPCTZDMQVZCT-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 104687395) is 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1nn(C)c(C)c1CC1(C)CCC(=O)N1.
What is the InChIKey of 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is LIAPCTZDMQVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-10(9(2)15(4)14-8)7-12(3)6-5-11(16)13-12/h5-7H2,1-4H3,(H,13,16).
What are the key properties of 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).