1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C7H5F3N4O — CID 169148960

IUPAC1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)[nH]cnc21
InChIInChI=1S/C7H5F3N4O/c1-14-5-3(6(15)12-2-11-5)4(13-14)7(8,9)10/h2H,1H3,(H,11,12,15)
InChIKeyMJXMOVVTTNQASH-UHFFFAOYSA-N
MW218.14 g/mol
LogP0.68
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 169148960) has the molecular formula C7H5F3N4O and a molecular weight of 218.14 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID169148960
Molecular FormulaC7H5F3N4O
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Name1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(C(F)(F)F)c2c(=O)[nH]cnc21
InChIInChI=1S/C7H5F3N4O/c1-14-5-3(6(15)12-2-11-5)4(13-14)7(8,9)10/h2H,1H3,(H,11,12,15)
InChIKeyMJXMOVVTTNQASH-UHFFFAOYSA-N
XLogP0.68
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 169148960) is 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1nc(C(F)(F)F)c2c(=O)[nH]cnc21.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is MJXMOVVTTNQASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O/c1-14-5-3(6(15)12-2-11-5)4(13-14)7(8,9)10/h2H,1H3,(H,11,12,15).
What are the key properties of 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 218.14 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 169148960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).