methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate

C14H12N4O3 — CID 6620190

IUPACmethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C14H12N4O3/c1-21-12(19)8-17-9-15-13-11(14(17)20)7-16-18(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyDAYWPKYIQKKJQA-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.76
Rot. Bonds3

About methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate

methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate (PubChem CID 6620190) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
PubChem CID6620190
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Namemethyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate
SMILESCOC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C14H12N4O3/c1-21-12(19)8-17-9-15-13-11(14(17)20)7-16-18(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3
InChIKeyDAYWPKYIQKKJQA-UHFFFAOYSA-N
XLogP0.76
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
2-[1-(3,4-Dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 1088467
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethyl-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583
(4-Oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetic acid methyl ester
CID 1433589
N-(2-Methoxy-ethyl)-2-(4-oxo-1-p-tolyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 3227789

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate (CID 6620190) is methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate is COC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
The InChIKey is DAYWPKYIQKKJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-21-12(19)8-17-9-15-13-11(14(17)20)7-16-18(13)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3.
What are the key properties of methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate?
methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate has a molecular weight of 284.28 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetate is sourced from PubChem (CID 6620190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).