3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H8F2N4O — CID 178026702

IUPAC3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C(F)F)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H8F2N4O/c1-3-11-7-4(8(15)12-3)5(6(9)10)13-14(7)2/h6H,1-2H3,(H,11,12,15)
InChIKeyOJSZTUKMUQOVBQ-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.90
Rot. Bonds1

About 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 178026702) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID178026702
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C(F)F)nn2C)c(=O)[nH]1
InChIInChI=1S/C8H8F2N4O/c1-3-11-7-4(8(15)12-3)5(6(9)10)13-14(7)2/h6H,1-2H3,(H,11,12,15)
InChIKeyOJSZTUKMUQOVBQ-UHFFFAOYSA-N
XLogP0.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 178026702) is 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C(F)F)nn2C)c(=O)[nH]1.
What is the InChIKey of 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OJSZTUKMUQOVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c1-3-11-7-4(8(15)12-3)5(6(9)10)13-14(7)2/h6H,1-2H3,(H,11,12,15).
What are the key properties of 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 214.18 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 178026702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).