5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C15H16N4O — CID 135794611

IUPAC5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H16N4O/c1-9(2)12-13-14(19-18-12)15(20)17-11(16-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyDSKQSGYVUNFGDX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.36
Rot. Bonds3

About 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135794611) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135794611
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3)nc12
InChIInChI=1S/C15H16N4O/c1-9(2)12-13-14(19-18-12)15(20)17-11(16-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKeyDSKQSGYVUNFGDX-UHFFFAOYSA-N
XLogP2.36
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-butyl-3-(4-chlorophenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]benzamide
CID 46864990
5-(3-Chlorobenzyl)-3-isopropyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135418212
5-(4-Amino-phenyl)-1,3-dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626433
5-Benzyl-1-ethyl-3-methyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626435
1-Ethyl-3-methyl-5-phenyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626436
1,3-Dimethyl-5-p-tolyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one
CID 135626444
5-Methyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157959
1,5-dimethyl-3-[1-[4-(trifluoromethyl)phenyl]ethyl]-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 137157984
5-methyl-3-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157994
5-methyl-3-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 137157995
3-[(1R)-1-(4-tert-butylphenyl)ethyl]-1-(2-fluoroethyl)-5-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 137305672
1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135832627

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135794611) is 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3)nc12.
What is the InChIKey of 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is DSKQSGYVUNFGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9(2)12-13-14(19-18-12)15(20)17-11(16-13)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,18,19)(H,16,17,20).
What are the key properties of 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-propan-2-yl-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135794611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).