2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C9H14FN3 — CID 83855094

IUPAC2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC(C)(F)Cn1cc2c(n1)CNC2
InChIInChI=1S/C9H14FN3/c1-9(2,10)6-13-5-7-3-11-4-8(7)12-13/h5,11H,3-4,6H2,1-2H3
InChIKeyPTUMLPRVISJACK-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.23
Rot. Bonds2

About 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 83855094) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID83855094
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC(C)(F)Cn1cc2c(n1)CNC2
InChIInChI=1S/C9H14FN3/c1-9(2,10)6-13-5-7-3-11-4-8(7)12-13/h5,11H,3-4,6H2,1-2H3
InChIKeyPTUMLPRVISJACK-UHFFFAOYSA-N
XLogP1.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 83855094) is 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is CC(C)(F)Cn1cc2c(n1)CNC2.
What is the InChIKey of 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is PTUMLPRVISJACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-9(2,10)6-13-5-7-3-11-4-8(7)12-13/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 183.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-2-methylpropyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 83855094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).