4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one

C11H13N7O — CID 103995176

IUPAC4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C11H13N7O/c1-2-3-6-7(12)11(19)18(17-6)10-8-9(14-4-13-8)15-5-16-10/h4-5,17H,2-3,12H2,1H3,(H,13,14,15,16)
InChIKeyAIPMZAHIDJGMCD-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.37
Rot. Bonds3

About 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one

4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one (PubChem CID 103995176) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
PubChem CID103995176
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C11H13N7O/c1-2-3-6-7(12)11(19)18(17-6)10-8-9(14-4-13-8)15-5-16-10/h4-5,17H,2-3,12H2,1H3,(H,13,14,15,16)
InChIKeyAIPMZAHIDJGMCD-UHFFFAOYSA-N
XLogP0.37
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-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

Related Compounds

4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995179
4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995180
5-methyl-2-(7H-purin-6-yl)-1H-pyrazole-3-thione
CID 62409844
5-tert-butyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 66022951
4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one
CID 103994865
4-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
5-methyl-1-(7H-purin-6-yl)-1,2,4-triazol-3-amine
CID 79521441
5-methyl-1-(7H-purin-6-yl)pyrazol-3-amine
CID 62677725
6-tetradecyl-7H-purine
CID 101215358
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
ethane;8-fluoro-2-phenyl-3-propylisoquinolin-1-one;7H-purin-6-amine
CID 144835192

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one (CID 103995176) is 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one is CCCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N.
What is the InChIKey of 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The InChIKey is AIPMZAHIDJGMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-2-3-6-7(12)11(19)18(17-6)10-8-9(14-4-13-8)15-5-16-10/h4-5,17H,2-3,12H2,1H3,(H,13,14,15,16).
What are the key properties of 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one has a molecular weight of 259.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).