2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one

C10H15N3O — CID 118065290

IUPAC2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one
SMILESCn1ccc(N2CCC(=O)C2(C)C)n1
InChIInChI=1S/C10H15N3O/c1-10(2)8(14)4-7-13(10)9-5-6-12(3)11-9/h5-6H,4,7H2,1-3H3
InChIKeyHUPYMEHEJCOHPS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.98
Rot. Bonds1

About 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one

2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one (PubChem CID 118065290) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one
PubChem CID118065290
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one
SMILESCn1ccc(N2CCC(=O)C2(C)C)n1
InChIInChI=1S/C10H15N3O/c1-10(2)8(14)4-7-13(10)9-5-6-12(3)11-9/h5-6H,4,7H2,1-3H3
InChIKeyHUPYMEHEJCOHPS-UHFFFAOYSA-N
XLogP0.98
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one?
The IUPAC name of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one (CID 118065290) is 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one?
The canonical SMILES for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one is Cn1ccc(N2CCC(=O)C2(C)C)n1.
What is the InChIKey of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one?
The InChIKey is HUPYMEHEJCOHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2)8(14)4-7-13(10)9-5-6-12(3)11-9/h5-6H,4,7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one?
2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylpyrazol-3-yl)pyrrolidin-3-one is sourced from PubChem (CID 118065290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).