ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate

C11H14N4O3 — CID 43423148

IUPACethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H14N4O3/c1-3-18-9(16)4-5-15-7-12-10-8(11(15)17)6-13-14(10)2/h6-7H,3-5H2,1-2H3
InChIKeyVLNZUBZCPZCPDC-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.08
Rot. Bonds4

About ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate

ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate (PubChem CID 43423148) has the molecular formula C11H14N4O3 and a molecular weight of 250.26 g/mol. Its IUPAC name is ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
PubChem CID43423148
Molecular FormulaC11H14N4O3
Molecular Weight250.26 g/mol
Exact Mass250.11
IUPAC Nameethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
SMILESCCOC(=O)CCn1cnc2c(cnn2C)c1=O
InChIInChI=1S/C11H14N4O3/c1-3-18-9(16)4-5-15-7-12-10-8(11(15)17)6-13-14(10)2/h6-7H,3-5H2,1-2H3
InChIKeyVLNZUBZCPZCPDC-UHFFFAOYSA-N
XLogP0.08
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate?
The IUPAC name of ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate (CID 43423148) is ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate?
The canonical SMILES for ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate is CCOC(=O)CCn1cnc2c(cnn2C)c1=O.
What is the InChIKey of ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate?
The InChIKey is VLNZUBZCPZCPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3/c1-3-18-9(16)4-5-15-7-12-10-8(11(15)17)6-13-14(10)2/h6-7H,3-5H2,1-2H3.
What are the key properties of ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate?
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate has a molecular weight of 250.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate is sourced from PubChem (CID 43423148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).