5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one

C14H13ClN4O2 — CID 7422947

IUPAC5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)8-18-9-16-13-12(14(18)21)7-17-19(13)4-5-20/h1-3,6-7,9,20H,4-5,8H2
InChIKeyICHYYMIZHQCJKO-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.29
Rot. Bonds4

About 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7422947) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7422947
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1Cc1cccc(Cl)c1
InChIInChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)8-18-9-16-13-12(14(18)21)7-17-19(13)4-5-20/h1-3,6-7,9,20H,4-5,8H2
InChIKeyICHYYMIZHQCJKO-UHFFFAOYSA-N
XLogP1.29
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7422947) is 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCO)c2ncn1Cc1cccc(Cl)c1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ICHYYMIZHQCJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-11-3-1-2-10(6-11)8-18-9-16-13-12(14(18)21)7-17-19(13)4-5-20/h1-3,6-7,9,20H,4-5,8H2.
What are the key properties of 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 304.74 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7422947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).