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

C15H16N4O — CID 135832627

IUPAC1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C15H16N4O/c1-3-7-11-12-13(19(2)18-11)15(20)17-14(16-12)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,20)
InChIKeyXYLFLTOUNVLVOX-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.28
Rot. Bonds3

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

1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135832627) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135832627
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3)nc12
InChIInChI=1S/C15H16N4O/c1-3-7-11-12-13(19(2)18-11)15(20)17-14(16-12)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,20)
InChIKeyXYLFLTOUNVLVOX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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
3-benzyl-7-propyl-3,5-dihydro-4H-[1,2,3]triazolo[4,5-d]pyridazin-4-one
CID 23607531
1,6-Dihydro-5-(2-hydroxyphenyl)-1-methyl-3-propyl-7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135546517
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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135832627) is 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3)nc12.
What is the InChIKey of 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is XYLFLTOUNVLVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-3-7-11-12-13(19(2)18-11)15(20)17-14(16-12)10-8-5-4-6-9-10/h4-6,8-9H,3,7H2,1-2H3,(H,16,17,20).
What are the key properties of 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 268.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-3-propyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135832627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).