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

C10H11N7O — CID 103995179

IUPAC4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O/c1-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeyISVUJEZKDFLMDH-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.02
Rot. Bonds2

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

4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one (PubChem CID 103995179) has the molecular formula C10H11N7O and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
PubChem CID103995179
Molecular FormulaC10H11N7O
Molecular Weight245.25 g/mol
Exact Mass245.10
IUPAC Name4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O/c1-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeyISVUJEZKDFLMDH-UHFFFAOYSA-N
XLogP-0.02
TPSA118.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-propyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one
CID 103995176
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-(aminomethyl)-1-(7H-purin-6-yl)pyrrolidin-2-one
CID 168661465
4-amino-2-(4-bromophenyl)-5-ethyl-1H-pyrazol-3-one
CID 103995200
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
[5-oxo-1-(7H-purin-6-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168683385
methanol;7H-purin-6-amine
CID 67194832
4-amino-5-propyl-2-pyrimidin-4-yl-1H-pyrazol-3-one
CID 103995429
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one (CID 103995179) is 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one is CCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N.
What is the InChIKey of 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The InChIKey is ISVUJEZKDFLMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O/c1-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one has a molecular weight of 245.25 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-2-(7H-purin-6-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).