5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C15H16N4O — CID 135626435

IUPAC5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(Cc3ccccc3)[nH]c(=O)c21
InChIInChI=1S/C15H16N4O/c1-3-19-14-13(10(2)18-19)16-12(17-15(14)20)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,20)
InChIKeyGKVZKWIOOOKNMO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.04
Rot. Bonds3

About 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135626435) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135626435
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(Cc3ccccc3)[nH]c(=O)c21
InChIInChI=1S/C15H16N4O/c1-3-19-14-13(10(2)18-19)16-12(17-15(14)20)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,20)
InChIKeyGKVZKWIOOOKNMO-UHFFFAOYSA-N
XLogP2.04
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoroethyl)-3-[(1R)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-5-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137305682
1,5-dimethyl-N-(4-methylbenzyl)-4-nitro-1H-pyrazole-3-carboxamide
CID 841163
5-(4-Chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626422
1,3-Dimethyl-5-(4-nitro-phenyl)-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626430
5-(4-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626433
1-Ethyl-3-methyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626434
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
5-(2-Amino-4-chloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626438
5-(3,4-Dichloro-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626440
1,3-Dimethyl-5-p-tolyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626444
1,3-Dimethyl-5-pyridin-4-yl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626445
5-methyl-1-(2,2,2-trifluoroethyl)-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137157979

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135626435) is 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCn1nc(C)c2nc(Cc3ccccc3)[nH]c(=O)c21.
What is the InChIKey of 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is GKVZKWIOOOKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-19-14-13(10(2)18-19)16-12(17-15(14)20)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,20).
What are the key properties of 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135626435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).