6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C11H7ClN4O — CID 135408780

IUPAC6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C11H7ClN4O/c12-11-14-9-8(10(17)15-11)6-13-16(9)7-4-2-1-3-5-7/h1-6H,(H,14,15,17)
InChIKeyGMXPVUMJGVSVLG-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.76
Rot. Bonds1

About 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408780) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408780
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC Name6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Cl)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C11H7ClN4O/c12-11-14-9-8(10(17)15-11)6-13-16(9)7-4-2-1-3-5-7/h1-6H,(H,14,15,17)
InChIKeyGMXPVUMJGVSVLG-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

5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 746814
2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CID 135398509
Bay 73-6691
CID 135541419
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
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
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135408780) is 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(Cl)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GMXPVUMJGVSVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-11-14-9-8(10(17)15-11)6-13-16(9)7-4-2-1-3-5-7/h1-6H,(H,14,15,17).
What are the key properties of 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-chloro-1-phenyl-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 6-chloro-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).