6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H13Cl3N4O — CID 135402916

IUPAC6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C15H13Cl3N4O/c1-3-4-11-12-14(19-7(2)20-15(12)23)22(21-11)13-9(17)5-8(16)6-10(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23)
InChIKeyDRQHYFKZTQDMFJ-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.33
Rot. Bonds3

About 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135402916) has the molecular formula C15H13Cl3N4O and a molecular weight of 371.66 g/mol. Its IUPAC name is 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135402916
Molecular FormulaC15H13Cl3N4O
Molecular Weight371.66 g/mol
Exact Mass370.02
IUPAC Name6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12
InChIInChI=1S/C15H13Cl3N4O/c1-3-4-11-12-14(19-7(2)20-15(12)23)22(21-11)13-9(17)5-8(16)6-10(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23)
InChIKeyDRQHYFKZTQDMFJ-UHFFFAOYSA-N
XLogP4.33
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-3-(methylsulfanyl)-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402910
3-ethyl-6-methyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402917
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 18b
CID 135402926
6-benzyl-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402947
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19d
CID 135402953
6-[(3-aminophenyl)methyl]-3-ethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135402957
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19i
CID 135402958
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19k
CID 135402960
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19n
CID 135402963
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 19o
CID 135402964
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 23
CID 135402975
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 24a
CID 135402976

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135402916) is 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12.
What is the InChIKey of 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is DRQHYFKZTQDMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl3N4O/c1-3-4-11-12-14(19-7(2)20-15(12)23)22(21-11)13-9(17)5-8(16)6-10(13)18/h5-6H,3-4H2,1-2H3,(H,19,20,23).
What are the key properties of 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 371.66 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propyl-1-(2,4,6-trichlorophenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135402916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).