1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole

C8H10F3N3 — CID 11009059

IUPAC1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole
SMILESCN1CCc2c(C(F)(F)F)nn(C)c21
InChIInChI=1S/C8H10F3N3/c1-13-4-3-5-6(8(9,10)11)12-14(2)7(5)13/h3-4H2,1-2H3
InChIKeyUJQBXLGGMHEFDI-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.43
Rot. Bonds

About 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole

1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole (PubChem CID 11009059) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole.

Molecular Properties

Compound Name1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole
PubChem CID11009059
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole
SMILESCN1CCc2c(C(F)(F)F)nn(C)c21
InChIInChI=1S/C8H10F3N3/c1-13-4-3-5-6(8(9,10)11)12-14(2)7(5)13/h3-4H2,1-2H3
InChIKeyUJQBXLGGMHEFDI-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole?
The IUPAC name of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole (CID 11009059) is 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole.
What is the SMILES notation for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole?
The canonical SMILES for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole is CN1CCc2c(C(F)(F)F)nn(C)c21.
What is the InChIKey of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole?
The InChIKey is UJQBXLGGMHEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-4-3-5-6(8(9,10)11)12-14(2)7(5)13/h3-4H2,1-2H3.
What are the key properties of 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole?
1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole has a molecular weight of 205.18 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-(trifluoromethyl)-4,5-dihydropyrrolo[3,2-d]pyrazole is sourced from PubChem (CID 11009059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).