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

C20H17ClN4O — CID 15990635

IUPAC1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C20H17ClN4O/c1-3-14-5-4-6-17(11-14)24-13(2)23-19-18(20(24)26)12-22-25(19)16-9-7-15(21)8-10-16/h4-12H,3H2,1-2H3
InChIKeyFWFWJQWSUOURSS-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.10
Rot. Bonds3

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

1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15990635) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15990635
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1
InChIInChI=1S/C20H17ClN4O/c1-3-14-5-4-6-17(11-14)24-13(2)23-19-18(20(24)26)12-22-25(19)16-9-7-15(21)8-10-16/h4-12H,3H2,1-2H3
InChIKeyFWFWJQWSUOURSS-UHFFFAOYSA-N
XLogP4.10
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bay 73-6691
CID 135541419
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
6-[(3-aminophenyl)methyl]-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402957
BAY 73-6691 racemate
CID 135495130
3-(4-chloroanilino)-1-[(1S,2S,4S)-2-cyano-4-(dimethylamino)cyclohexyl]pyrazole-4-carboxamide
CID 90367281
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
1-(3,4-Dimethylphenyl)-5-(2-oxopropyl)pyrazolo[3,4-d]pyrimidin-4-one
CID 1433583
1-Tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 16193594
1-(4-Fluorophenyl)-6-methyl-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3242334

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 15990635) is 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is CCc1cccc(-n2c(C)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)c1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FWFWJQWSUOURSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-3-14-5-4-6-17(11-14)24-13(2)23-19-18(20(24)26)12-22-25(19)16-9-7-15(21)8-10-16/h4-12H,3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 364.84 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(3-ethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15990635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).