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

C12H10FN3O — CID 20854744

IUPAC4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C12H10FN3O/c1-6-9-10(7-2-4-8(13)5-3-7)14-12(17)11(9)16-15-6/h2-5,10H,1H3,(H,14,17)(H,15,16)
InChIKeyJKJVOIPDOPFWER-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.69
Rot. Bonds1

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

4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (PubChem CID 20854744) has the molecular formula C12H10FN3O and a molecular weight of 231.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
PubChem CID20854744
Molecular FormulaC12H10FN3O
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
SMILESCc1[nH]nc2c1C(c1ccc(F)cc1)NC2=O
InChIInChI=1S/C12H10FN3O/c1-6-9-10(7-2-4-8(13)5-3-7)14-12(17)11(9)16-15-6/h2-5,10H,1H3,(H,14,17)(H,15,16)
InChIKeyJKJVOIPDOPFWER-UHFFFAOYSA-N
XLogP1.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one (CID 20854744) is 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is Cc1[nH]nc2c1C(c1ccc(F)cc1)NC2=O.
What is the InChIKey of 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
The InChIKey is JKJVOIPDOPFWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O/c1-6-9-10(7-2-4-8(13)5-3-7)14-12(17)11(9)16-15-6/h2-5,10H,1H3,(H,14,17)(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one?
4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one has a molecular weight of 231.23 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one is sourced from PubChem (CID 20854744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).