4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

C13H12FN3O — CID 6490781

IUPAC4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1F)N(C)C2=O
InChIInChI=1S/C13H12FN3O/c1-7-10-11(16-15-7)13(18)17(2)12(10)8-5-3-4-6-9(8)14/h3-6,12H,1-2H3,(H,15,16)
InChIKeyXDWKEJOBAMPAEY-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.03
Rot. Bonds1

About 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one

4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (PubChem CID 6490781) has the molecular formula C13H12FN3O and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
PubChem CID6490781
Molecular FormulaC13H12FN3O
Molecular Weight245.26 g/mol
Exact Mass245.10
IUPAC Name4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccccc1F)N(C)C2=O
InChIInChI=1S/C13H12FN3O/c1-7-10-11(16-15-7)13(18)17(2)12(10)8-5-3-4-6-9(8)14/h3-6,12H,1-2H3,(H,15,16)
InChIKeyXDWKEJOBAMPAEY-UHFFFAOYSA-N
XLogP2.03
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one (CID 6490781) is 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1ccccc1F)N(C)C2=O.
What is the InChIKey of 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is XDWKEJOBAMPAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O/c1-7-10-11(16-15-7)13(18)17(2)12(10)8-5-3-4-6-9(8)14/h3-6,12H,1-2H3,(H,15,16).
What are the key properties of 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one?
4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 245.26 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3,5-dimethyl-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 6490781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).