1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one

C16H16N4O2 — CID 7422861

IUPAC1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1C/C=C/c1ccccc1
InChIInChI=1S/C16H16N4O2/c21-10-9-20-15-14(11-18-20)16(22)19(12-17-15)8-4-7-13-5-2-1-3-6-13/h1-7,11-12,21H,8-10H2/b7-4+
InChIKeyUTPVZKRIVVBWGA-QPJJXVBHSA-N
MW296.33 g/mol
LogP1.30
Rot. Bonds5

About 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7422861) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7422861
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1C/C=C/c1ccccc1
InChIInChI=1S/C16H16N4O2/c21-10-9-20-15-14(11-18-20)16(22)19(12-17-15)8-4-7-13-5-2-1-3-6-13/h1-7,11-12,21H,8-10H2/b7-4+
InChIKeyUTPVZKRIVVBWGA-QPJJXVBHSA-N
XLogP1.30
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 7422861) is 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCO)c2ncn1C/C=C/c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UTPVZKRIVVBWGA-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H16N4O2/c21-10-9-20-15-14(11-18-20)16(22)19(12-17-15)8-4-7-13-5-2-1-3-6-13/h1-7,11-12,21H,8-10H2/b7-4+.
What are the key properties of 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 296.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5-[(E)-3-phenylprop-2-enyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7422861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).