6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C6H4F2N4O — CID 136748565

IUPAC6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)F)nc2[nH]ncc12
InChIInChI=1S/C6H4F2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13)
InChIKeyIPSLRXRWXBGOKE-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.58
Rot. Bonds1

About 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136748565) has the molecular formula C6H4F2N4O and a molecular weight of 186.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136748565
Molecular FormulaC6H4F2N4O
Molecular Weight186.12 g/mol
Exact Mass186.04
IUPAC Name6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(C(F)F)nc2[nH]ncc12
InChIInChI=1S/C6H4F2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13)
InChIKeyIPSLRXRWXBGOKE-UHFFFAOYSA-N
XLogP0.58
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 136748565) is 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(C(F)F)nc2[nH]ncc12.
What is the InChIKey of 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IPSLRXRWXBGOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2N4O/c7-3(8)5-10-4-2(1-9-12-4)6(13)11-5/h1,3H,(H2,9,10,11,12,13).
What are the key properties of 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 186.12 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136748565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).