1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C8H10F3N3 — CID 90167687

IUPAC1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2c(C(F)(F)F)nn(C)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)12-7(5)8(9,10)11/h3-4H2,1-2H3
InChIKeyAEXSSOMBBLGHBK-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.38
Rot. Bonds

About 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 90167687) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID90167687
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2c(C(F)(F)F)nn(C)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)12-7(5)8(9,10)11/h3-4H2,1-2H3
InChIKeyAEXSSOMBBLGHBK-UHFFFAOYSA-N
XLogP1.38
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]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 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 90167687) is 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is CN1Cc2c(C(F)(F)F)nn(C)c2C1.
What is the InChIKey of 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is AEXSSOMBBLGHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-3-5-6(4-13)14(2)12-7(5)8(9,10)11/h3-4H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 205.18 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 90167687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).