3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one

C9H14N4O — CID 130496569

IUPAC3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCc1cc(N)nn1C1CCN(C)C1=O
InChIInChI=1S/C9H14N4O/c1-6-5-8(10)11-13(6)7-3-4-12(2)9(7)14/h5,7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWWJUOOGTIGSSBY-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.18
Rot. Bonds1

About 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one

3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one (PubChem CID 130496569) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
PubChem CID130496569
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCc1cc(N)nn1C1CCN(C)C1=O
InChIInChI=1S/C9H14N4O/c1-6-5-8(10)11-13(6)7-3-4-12(2)9(7)14/h5,7H,3-4H2,1-2H3,(H2,10,11)
InChIKeyWWJUOOGTIGSSBY-UHFFFAOYSA-N
XLogP0.18
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one
CID 165479281
1-cycloheptyl-5-methylpyrazol-3-amine
CID 62677533
1-methyl-3-(4-methylpyrazol-1-yl)pyrrolidin-2-one
CID 142557104
5-amino-6-chloro-3-(1-methyl-2-oxopyrrolidin-3-yl)pyrimidin-4-one
CID 114582511
1-[(3S)-1,1-dioxothiolan-3-yl]-5-methylpyrazol-3-amine
CID 94547847
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446
3-(azepan-1-yl)-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
CID 86770898
3-(2-amino-4-methylbenzimidazol-1-yl)-1-methylpyrrolidin-2-one
CID 106258960
(3R)-3-tert-butyl-1-methylpyrrolidin-2-one
CID 155363836
5-(aminomethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylic acid
CID 103122148
3-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrrolidin-2-one
CID 114523980
ethyl 5-(chloromethyl)-1-(1-methyl-2-oxopyrrolidin-3-yl)triazole-4-carboxylate
CID 103109472

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one (CID 130496569) is 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one is Cc1cc(N)nn1C1CCN(C)C1=O.
What is the InChIKey of 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one?
The InChIKey is WWJUOOGTIGSSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-5-8(10)11-13(6)7-3-4-12(2)9(7)14/h5,7H,3-4H2,1-2H3,(H2,10,11).
What are the key properties of 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one?
3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methylpyrazol-1-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130496569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).