3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

C18H16FN3O — CID 156634969

IUPAC3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESOc1cccc(Cn2nc3c(c2-c2ccccc2F)CNC3)c1
InChIInChI=1S/C18H16FN3O/c19-16-7-2-1-6-14(16)18-15-9-20-10-17(15)21-22(18)11-12-4-3-5-13(23)8-12/h1-8,20,23H,9-11H2
InChIKeyZHHDUUDGSFKFJD-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.05
Rot. Bonds3

About 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol

3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (PubChem CID 156634969) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
PubChem CID156634969
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol
SMILESOc1cccc(Cn2nc3c(c2-c2ccccc2F)CNC3)c1
InChIInChI=1S/C18H16FN3O/c19-16-7-2-1-6-14(16)18-15-9-20-10-17(15)21-22(18)11-12-4-3-5-13(23)8-12/h1-8,20,23H,9-11H2
InChIKeyZHHDUUDGSFKFJD-UHFFFAOYSA-N
XLogP3.05
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The IUPAC name of 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol (CID 156634969) is 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The canonical SMILES for 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is Oc1cccc(Cn2nc3c(c2-c2ccccc2F)CNC3)c1.
What is the InChIKey of 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
The InChIKey is ZHHDUUDGSFKFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-16-7-2-1-6-14(16)18-15-9-20-10-17(15)21-22(18)11-12-4-3-5-13(23)8-12/h1-8,20,23H,9-11H2.
What are the key properties of 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol?
3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol has a molecular weight of 309.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]methyl]phenol is sourced from PubChem (CID 156634969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).