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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Related Compounds

1-(4-chlorophenyl)-5-(4-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244187
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
1-(4-Chlorophenyl)-6-(furan-2-YL)-5-(3-methoxyphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990617
1-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-6-ethyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990634
2-[[1-(2-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)acetamide
CID 136087043
2-[[1-(2-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 136217455
5-(4-Methoxyphenyl)-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 750040
5-(4-methoxyphenethyl)-6-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 2033978
5-(3-methoxyphenyl)-6-methyl-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3236811
1-(4-chlorophenyl)-6-(2-furyl)-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990633
4-[4-(4-Chlorophenyl)piperazine-1-carbonyl]-2-ethyl-11-[(4-methoxyphenyl)methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3,5-trien-8-one
CID 16029704
N-(3-methoxyphenyl)-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
CID 16034677

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).