1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione

C9H11N3O2 — CID 43547645

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CCC1=O
InChIInChI=1S/C9H11N3O2/c1-5-9(6(2)11-10-5)12-7(13)3-4-8(12)14/h3-4H2,1-2H3,(H,10,11)
InChIKeyYSPXYBZUHMHFCS-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.68
Rot. Bonds1

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione

1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione (PubChem CID 43547645) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
PubChem CID43547645
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione
SMILESCc1n[nH]c(C)c1N1C(=O)CCC1=O
InChIInChI=1S/C9H11N3O2/c1-5-9(6(2)11-10-5)12-7(13)3-4-8(12)14/h3-4H2,1-2H3,(H,10,11)
InChIKeyYSPXYBZUHMHFCS-UHFFFAOYSA-N
XLogP0.68
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-(3,5-dimethyl-1H-pyrazol-4-yl)-8-azaspiro[4.5]decane-7,9-dione
CID 61069648
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azaspiro[5.5]undecane-2,4-dione
CID 43804805
3-(3,5-dimethyl-1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60791586
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylpyrrolidine-2,5-dione
CID 61036933
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 43547642
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-phenylpyrrolidine-2,5-dione
CID 61209255
4-(3,5-dimethyl-1H-pyrazol-4-yl)-2,4-diazaspiro[5.5]undecane-1,3,5-trione
CID 115946879
2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 63303367
4-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)isoindole-1,3-dione
CID 43547727
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43546468
3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 90506344
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione (CID 43547645) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione is Cc1n[nH]c(C)c1N1C(=O)CCC1=O.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione?
The InChIKey is YSPXYBZUHMHFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5-9(6(2)11-10-5)12-7(13)3-4-8(12)14/h3-4H2,1-2H3,(H,10,11).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione?
1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione has a molecular weight of 193.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43547645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).