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

C12H12FN3O — CID 105492390

IUPAC2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCN1Cc2[nH]n(-c3ccc(F)cc3)c(=O)c2C1
InChIInChI=1S/C12H12FN3O/c1-15-6-10-11(7-15)14-16(12(10)17)9-4-2-8(13)3-5-9/h2-5,14H,6-7H2,1H3
InChIKeyDBBRTFCXQWYYKD-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.25
Rot. Bonds1

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

2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one (PubChem CID 105492390) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
PubChem CID105492390
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one
SMILESCN1Cc2[nH]n(-c3ccc(F)cc3)c(=O)c2C1
InChIInChI=1S/C12H12FN3O/c1-15-6-10-11(7-15)14-16(12(10)17)9-4-2-8(13)3-5-9/h2-5,14H,6-7H2,1H3
InChIKeyDBBRTFCXQWYYKD-UHFFFAOYSA-N
XLogP1.25
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one (CID 105492390) is 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one is CN1Cc2[nH]n(-c3ccc(F)cc3)c(=O)c2C1.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
The InChIKey is DBBRTFCXQWYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-15-6-10-11(7-15)14-16(12(10)17)9-4-2-8(13)3-5-9/h2-5,14H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one?
2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one has a molecular weight of 233.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-one is sourced from PubChem (CID 105492390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).