4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one

C11H21N5O — CID 129236566

IUPAC4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one
SMILESCN(C)C1CCN(c2c(N)c(=O)n(C)n2C)C1
InChIInChI=1S/C11H21N5O/c1-13(2)8-5-6-16(7-8)10-9(12)11(17)15(4)14(10)3/h8H,5-7,12H2,1-4H3
InChIKeyKEKCQEHICWMBBF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.55
Rot. Bonds2

About 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one

4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one (PubChem CID 129236566) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one
PubChem CID129236566
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one
SMILESCN(C)C1CCN(c2c(N)c(=O)n(C)n2C)C1
InChIInChI=1S/C11H21N5O/c1-13(2)8-5-6-16(7-8)10-9(12)11(17)15(4)14(10)3/h8H,5-7,12H2,1-4H3
InChIKeyKEKCQEHICWMBBF-UHFFFAOYSA-N
XLogP-0.55
TPSA59.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one?
The IUPAC name of 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one (CID 129236566) is 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one.
What is the SMILES notation for 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one?
The canonical SMILES for 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one is CN(C)C1CCN(c2c(N)c(=O)n(C)n2C)C1.
What is the InChIKey of 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one?
The InChIKey is KEKCQEHICWMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-13(2)8-5-6-16(7-8)10-9(12)11(17)15(4)14(10)3/h8H,5-7,12H2,1-4H3.
What are the key properties of 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one?
4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one has a molecular weight of 239.32 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-dimethylpyrazol-3-one is sourced from PubChem (CID 129236566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).