5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C11H13N7O — CID 63315808

IUPAC5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCn3ccc(N)n3)cnc21
InChIInChI=1S/C11H13N7O/c1-16-10-8(6-14-16)11(19)17(7-13-10)4-5-18-3-2-9(12)15-18/h2-3,6-7H,4-5H2,1H3,(H2,12,15)
InChIKeyORFDYGGXYBPQKP-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.39
Rot. Bonds3

About 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63315808) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63315808
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(CCn3ccc(N)n3)cnc21
InChIInChI=1S/C11H13N7O/c1-16-10-8(6-14-16)11(19)17(7-13-10)4-5-18-3-2-9(12)15-18/h2-3,6-7H,4-5H2,1H3,(H2,12,15)
InChIKeyORFDYGGXYBPQKP-UHFFFAOYSA-N
XLogP-0.39
TPSA96.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 63316363
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
5-[2-(4-chloroanilino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62566016
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[2-(butylamino)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62565634
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 18152736
5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63746275
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
3-[2-(3-aminopyrazol-1-yl)ethyl]thieno[3,2-d]pyrimidin-4-one
CID 63316067

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 63315808) is 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(CCn3ccc(N)n3)cnc21.
What is the InChIKey of 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ORFDYGGXYBPQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-16-10-8(6-14-16)11(19)17(7-13-10)4-5-18-3-2-9(12)15-18/h2-3,6-7H,4-5H2,1H3,(H2,12,15).
What are the key properties of 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 259.27 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63315808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).