1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

C19H15ClN4O2 — CID 3235579

IUPAC1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C19H15ClN4O2/c1-12-22-18-17(11-21-24(18)14-8-6-13(20)7-9-14)19(25)23(12)15-4-3-5-16(10-15)26-2/h3-11H,1-2H3
InChIKeyYVRFNTXAJNMQNG-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.54
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3235579) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3235579
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C19H15ClN4O2/c1-12-22-18-17(11-21-24(18)14-8-6-13(20)7-9-14)19(25)23(12)15-4-3-5-16(10-15)26-2/h3-11H,1-2H3
InChIKeyYVRFNTXAJNMQNG-UHFFFAOYSA-N
XLogP3.54
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.54
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-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 3235579) is 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is COc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YVRFNTXAJNMQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-22-18-17(11-21-24(18)14-8-6-13(20)7-9-14)19(25)23(12)15-4-3-5-16(10-15)26-2/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 366.81 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3235579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).