5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

C13H12N4O2 — CID 135882048

IUPAC5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCCn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C13H12N4O2/c1-2-16-12(18)10-8-14-17(11(10)15-13(16)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,19)
InChIKeyCSYZPSUKUIDOCY-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.90
Rot. Bonds2

About 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione

5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135882048) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135882048
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESCCn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C13H12N4O2/c1-2-16-12(18)10-8-14-17(11(10)15-13(16)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,19)
InChIKeyCSYZPSUKUIDOCY-UHFFFAOYSA-N
XLogP0.90
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135485986
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
5-butyl-4-hydroxy-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135414794
5-(3-methylphenyl)-1-(4-methylphenyl)-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135488823
5-ethyl-8-methyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 4902245
ethyl 4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 135957256
6-ethyl-4-methyl-1-phenylpyrazolo[4,5-d]pyridazin-7-one
CID 16846087
4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
6-[benzyl(propyl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137265013
6-butan-2-ylsulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135468804
6-methyl-5-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 23905910

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135882048) is 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is CCn1c(=O)[nH]c2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is CSYZPSUKUIDOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-2-16-12(18)10-8-14-17(11(10)15-13(16)19)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,15,19).
What are the key properties of 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione?
5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 256.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135882048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).