1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H8N4O2 — CID 135412639

IUPAC1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C8H8N4O2/c1-2-6(13)12-7-5(3-11-12)8(14)10-4-9-7/h3-4H,2H2,1H3,(H,9,10,14)
InChIKeyZUXVZGNVGRXENQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.17
Rot. Bonds1

About 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135412639) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135412639
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(=O)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C8H8N4O2/c1-2-6(13)12-7-5(3-11-12)8(14)10-4-9-7/h3-4H,2H2,1H3,(H,9,10,14)
InChIKeyZUXVZGNVGRXENQ-UHFFFAOYSA-N
XLogP0.17
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)methyl (2S)-2-aminopropanoate
CID 135986041
1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate
CID 136734711
1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135453822
ethyl 4-methyl-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-1,3-thiazole-5-carboxylate
CID 135477230
1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136663942
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
N-[4-(aminomethyl)-1-oxothian-1-ylidene]-2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 166372011
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 136597750

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135412639) is 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(=O)n1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ZUXVZGNVGRXENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-6(13)12-7-5(3-11-12)8(14)10-4-9-7/h3-4H,2H2,1H3,(H,9,10,14).
What are the key properties of 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 192.18 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135412639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).