3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C9H14N4O — CID 56807128

IUPAC3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CC(N)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C9H14N4O/c1-6-3-8(10)9(14)13(6)7-4-11-12(2)5-7/h4-6,8H,3,10H2,1-2H3
InChIKeyLPSKUALHJMUVSH-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.13
Rot. Bonds1

About 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 56807128) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID56807128
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CC(N)C(=O)N1c1cnn(C)c1
InChIInChI=1S/C9H14N4O/c1-6-3-8(10)9(14)13(6)7-4-11-12(2)5-7/h4-6,8H,3,10H2,1-2H3
InChIKeyLPSKUALHJMUVSH-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 56807128) is 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is CC1CC(N)C(=O)N1c1cnn(C)c1.
What is the InChIKey of 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is LPSKUALHJMUVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-8(10)9(14)13(6)7-4-11-12(2)5-7/h4-6,8H,3,10H2,1-2H3.
What are the key properties of 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 56807128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).