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

C11H17N3O2 — CID 79237900

IUPAC4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CN1CC(O)CC1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(15)4-11(14)16/h9,15H,4-6H2,1-3H3
InChIKeyRKNBRINRYOVOQF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.13
Rot. Bonds2

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

4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 79237900) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID79237900
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1CN1CC(O)CC1=O
InChIInChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(15)4-11(14)16/h9,15H,4-6H2,1-3H3
InChIKeyRKNBRINRYOVOQF-UHFFFAOYSA-N
XLogP0.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-ol
CID 110912836
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
4-hydroxy-1-[(2-methyltriazol-4-yl)methyl]pyrrolidin-2-one
CID 130948204
8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-one
CID 79238255
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79238622
2-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162631538
1-(2,2,2-trifluoroethyl)-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 84596477
3-(propan-2-ylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237666
1,3,5-trimethyl-4-[(3-propan-2-ylazetidin-1-yl)methyl]pyrazole
CID 155139116
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83193193

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 79237900) is 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1nn(C)c(C)c1CN1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is RKNBRINRYOVOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(15)4-11(14)16/h9,15H,4-6H2,1-3H3.
What are the key properties of 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 79237900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).