3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

C9H13N3O — CID 118061154

IUPAC3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCC1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3
InChIKeyDBPYDXKTPJTSAE-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.79
Rot. Bonds1

About 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one

3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 118061154) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID118061154
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCC1CCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3
InChIKeyDBPYDXKTPJTSAE-UHFFFAOYSA-N
XLogP0.79
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 54594097
1-(1H,2H,3H-pyrazolo(1,5-a)imidazol-1-yl)but-2-yn-1-one
CID 130660220
1-(1-Methyl-1H-pyrazol-5-YL)-2,5-pyrrolidinedione
CID 2808726
1-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]-1-methyl-3-[1-(3-methylbutyl)pyrazol-3-yl]urea
CID 97080822
2-Oxo-1-[1-(trifluoromethyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
CID 155046776
1-(2,3-Dihydro-1H-imidazo[1,2-b]pyrazol-1-yl)ethan-1-one
CID 301210
1-Methyl-5-pyrazol-1-ylpyrrolidin-2-one
CID 162419225
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60325954
N-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710035
(3S,4S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one (CID 118061154) is 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is CC1CCN(c2ccn(C)n2)C1=O.
What is the InChIKey of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is DBPYDXKTPJTSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-7-3-6-12(9(7)13)8-4-5-11(2)10-8/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one?
3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 179.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 118061154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).