1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H7ClN4O — CID 135465285

IUPAC1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChIKeyMHFVAIHAHMEWHA-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.76
Rot. Bonds1

About 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135465285) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135465285
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17)
InChIKeyMHFVAIHAHMEWHA-UHFFFAOYSA-N
XLogP1.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bay 73-6691
CID 135541419
2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CID 135398509
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
BAY 73-6691 racemate
CID 135495130
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
1-(3-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136232559
5-(4-Chlorophenyl)-6-(4-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 2275223

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135465285) is 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MHFVAIHAHMEWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-7-1-3-8(4-2-7)16-10-9(5-15-16)11(17)14-6-13-10/h1-6H,(H,13,14,17).
What are the key properties of 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 246.66 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135465285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).