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

C10H15N3O — CID 1219936

IUPAC1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(C)n(CN2CCCC2=O)n1
InChIInChI=1S/C10H15N3O/c1-8-6-9(2)13(11-8)7-12-5-3-4-10(12)14/h6H,3-5,7H2,1-2H3
InChIKeyIDECKABLPUJZOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.08
Rot. Bonds2

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

1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one (PubChem CID 1219936) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one
PubChem CID1219936
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one
SMILESCc1cc(C)n(CN2CCCC2=O)n1
InChIInChI=1S/C10H15N3O/c1-8-6-9(2)13(11-8)7-12-5-3-4-10(12)14/h6H,3-5,7H2,1-2H3
InChIKeyIDECKABLPUJZOL-UHFFFAOYSA-N
XLogP1.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one (CID 1219936) is 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one is Cc1cc(C)n(CN2CCCC2=O)n1.
What is the InChIKey of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is IDECKABLPUJZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-6-9(2)13(11-8)7-12-5-3-4-10(12)14/h6H,3-5,7H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one?
1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 1219936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).