5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one

C16H18N4O — CID 7118736

IUPAC5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(Cc3ccccc3)cnc21
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-14-13(9-18-20)15(21)19(11-17-14)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyNFBXBEKSEMBEHT-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.40
Rot. Bonds2

About 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one

5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7118736) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7118736
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)n1ncc2c(=O)n(Cc3ccccc3)cnc21
InChIInChI=1S/C16H18N4O/c1-16(2,3)20-14-13(9-18-20)15(21)19(11-17-14)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3
InChIKeyNFBXBEKSEMBEHT-UHFFFAOYSA-N
XLogP2.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132259554
N-(1-ethyl-1-(4-methylphenyl)propyl)-7,7-dimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamide
CID 135464340
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-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419
1-benzyl-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869423
1-[4-(dimethylamino)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869430
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one (CID 7118736) is 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3)cnc21.
What is the InChIKey of 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is NFBXBEKSEMBEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-16(2,3)20-14-13(9-18-20)15(21)19(11-17-14)10-12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one?
5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 282.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-tert-butylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7118736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).