2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

C12H12FN3O — CID 115039364

IUPAC2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(-c3ccccc3F)c(=O)c21
InChIInChI=1S/C12H12FN3O/c1-7-11-9(6-14-7)15-16(12(11)17)10-5-3-2-4-8(10)13/h2-5,7,14-15H,6H2,1H3
InChIKeyZYHAGAULCMVKJA-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.47
Rot. Bonds1

About 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one

2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (PubChem CID 115039364) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
PubChem CID115039364
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
SMILESCC1NCc2[nH]n(-c3ccccc3F)c(=O)c21
InChIInChI=1S/C12H12FN3O/c1-7-11-9(6-14-7)15-16(12(11)17)10-5-3-2-4-8(10)13/h2-5,7,14-15H,6H2,1H3
InChIKeyZYHAGAULCMVKJA-UHFFFAOYSA-N
XLogP1.47
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one (CID 115039364) is 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is CC1NCc2[nH]n(-c3ccccc3F)c(=O)c21.
What is the InChIKey of 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is ZYHAGAULCMVKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-7-11-9(6-14-7)15-16(12(11)17)10-5-3-2-4-8(10)13/h2-5,7,14-15H,6H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one?
2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 115039364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).