3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

C16H15F3N4O2 — CID 135484473

IUPAC3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyRCKCFOKBILAFJF-UHFFFAOYSA-N
MW352.32 g/mol
LogP3.26
Rot. Bonds4

About 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one

3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135484473) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135484473
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
SMILESCC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12
InChIInChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24)
InChIKeyRCKCFOKBILAFJF-UHFFFAOYSA-N
XLogP3.26
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one (CID 135484473) is 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is CC(C)c1[nH]nc2c(=O)[nH]c(Cc3ccccc3OC(F)(F)F)nc12.
What is the InChIKey of 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is RCKCFOKBILAFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c1-8(2)12-13-14(23-22-12)15(24)21-11(20-13)7-9-5-3-4-6-10(9)25-16(17,18)19/h3-6,8H,7H2,1-2H3,(H,22,23)(H,20,21,24).
What are the key properties of 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one?
3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 352.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[2-(trifluoromethoxy)phenyl]methyl]-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135484473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).