1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one

C21H19ClN4O2 — CID 15990634

IUPAC1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(CC)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C21H19ClN4O2/c1-3-19-24-20-18(13-23-26(20)16-7-5-14(22)6-8-16)21(27)25(19)15-9-11-17(12-10-15)28-4-2/h5-13H,3-4H2,1-2H3
InChIKeyIHDZVLRWQHSSBU-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.19
Rot. Bonds5

About 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990634) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990634
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2c(CC)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C21H19ClN4O2/c1-3-19-24-20-18(13-23-26(20)16-7-5-14(22)6-8-16)21(27)25(19)15-9-11-17(12-10-15)28-4-2/h5-13H,3-4H2,1-2H3
InChIKeyIHDZVLRWQHSSBU-UHFFFAOYSA-N
XLogP4.19
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one (CID 15990634) is 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one is CCOc1ccc(-n2c(CC)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IHDZVLRWQHSSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-3-19-24-20-18(13-23-26(20)16-7-5-14(22)6-8-16)21(27)25(19)15-9-11-17(12-10-15)28-4-2/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 394.86 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-ethoxyphenyl)-6-ethylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).