1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C12H10N4O — CID 135431262

IUPAC1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17)
InChIKeyASCMRDPFTNELIK-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.17
Rot. Bonds2

About 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135431262) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135431262
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2Cc1ccccc1
InChIInChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17)
InChIKeyASCMRDPFTNELIK-UHFFFAOYSA-N
XLogP1.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 135869421
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
7-Amino-4-benzyl-10-ethenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-5-one
CID 44217846
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
N-(4-fluorobenzyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 1502164
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
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135431262) is 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ASCMRDPFTNELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c17-12-10-6-15-16(11(10)13-8-14-12)7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,17).
What are the key properties of 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135431262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).