5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C13H22FN3 — CID 70937960

IUPAC5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)(F)Cn1cc2c(n1)CN(C(C)(C)C)C2
InChIInChI=1S/C13H22FN3/c1-12(2,3)16-6-10-7-17(9-13(4,5)14)15-11(10)8-16/h7H,6,8-9H2,1-5H3
InChIKeyDONUWMXKVPYHFA-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.75
Rot. Bonds2

About 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole

5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 70937960) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID70937960
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)(F)Cn1cc2c(n1)CN(C(C)(C)C)C2
InChIInChI=1S/C13H22FN3/c1-12(2,3)16-6-10-7-17(9-13(4,5)14)15-11(10)8-16/h7H,6,8-9H2,1-5H3
InChIKeyDONUWMXKVPYHFA-UHFFFAOYSA-N
XLogP2.75
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 70937960) is 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CC(C)(F)Cn1cc2c(n1)CN(C(C)(C)C)C2.
What is the InChIKey of 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is DONUWMXKVPYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-12(2,3)16-6-10-7-17(9-13(4,5)14)15-11(10)8-16/h7H,6,8-9H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 239.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 70937960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).