1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one

C13H11ClN4O — CID 10731071

IUPAC1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(Cl)nc2c(cnn2Cc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN4O/c1-17-12(19)10-7-15-18(11(10)16-13(17)14)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyDXIFXIBNAJUCAU-UHFFFAOYSA-N
MW274.71 g/mol
LogP1.83
Rot. Bonds2

About 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one

1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10731071) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10731071
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1c(Cl)nc2c(cnn2Cc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN4O/c1-17-12(19)10-7-15-18(11(10)16-13(17)14)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyDXIFXIBNAJUCAU-UHFFFAOYSA-N
XLogP1.83
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-6-chloro-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 11244612
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
CID 53475520
1-benzyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 113220360
1-benzyl-6-[(5-chloro-1-methylpyrazol-3-yl)methylsulfanyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166332508
4-chloro-1-(2-phenylethyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 58316679
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
1-benzyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 165460221
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
5-benzyl-11-(cyclohexa-1,2,3,5-tetraen-1-ylmethyl)-8-methyl-4,5,8,11,12-pentazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,12-tetraene-6,10-dione
CID 162683711
1-benzyl-4-(3-chloropropylsulfanyl)-6-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 142715152
10-benzyl-7-methyl-4-(2H-tetrazol-5-ylmethyl)-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 154589003

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 10731071) is 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1c(Cl)nc2c(cnn2Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DXIFXIBNAJUCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-17-12(19)10-7-15-18(11(10)16-13(17)14)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one?
1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 274.71 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10731071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).