methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H18N4O2 — CID 161063527

IUPACmethanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1nc(-c2ccccc2)c2c(=O)[nH]cnc21.CO
InChIInChI=1S/C14H14N4O.CH4O/c1-9(2)18-13-11(14(19)16-8-15-13)12(17-18)10-6-4-3-5-7-10;1-2/h3-9H,1-2H3,(H,15,16,19);2H,1H3
InChIKeyUDSBUFBOAYOWSS-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.98
Rot. Bonds2

About methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one

methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 161063527) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Namemethanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID161063527
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Namemethanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)n1nc(-c2ccccc2)c2c(=O)[nH]cnc21.CO
InChIInChI=1S/C14H14N4O.CH4O/c1-9(2)18-13-11(14(19)16-8-15-13)12(17-18)10-6-4-3-5-7-10;1-2/h3-9H,1-2H3,(H,15,16,19);2H,1H3
InChIKeyUDSBUFBOAYOWSS-UHFFFAOYSA-N
XLogP1.98
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 161063527) is methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)n1nc(-c2ccccc2)c2c(=O)[nH]cnc21.CO.
What is the InChIKey of methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UDSBUFBOAYOWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O.CH4O/c1-9(2)18-13-11(14(19)16-8-15-13)12(17-18)10-6-4-3-5-7-10;1-2/h3-9H,1-2H3,(H,15,16,19);2H,1H3.
What are the key properties of methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 286.34 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-phenyl-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 161063527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).