5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole

C8H10F3N3 — CID 70875698

IUPAC5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-6-2-12-14(7(6)4-13)5-8(9,10)11/h2H,3-5H2,1H3
InChIKeyOUFKPDKNCKEDAN-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.39
Rot. Bonds1

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

5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 70875698) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID70875698
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCN1Cc2cnn(CC(F)(F)F)c2C1
InChIInChI=1S/C8H10F3N3/c1-13-3-6-2-12-14(7(6)4-13)5-8(9,10)11/h2H,3-5H2,1H3
InChIKeyOUFKPDKNCKEDAN-UHFFFAOYSA-N
XLogP1.39
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 70875698) is 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is CN1Cc2cnn(CC(F)(F)F)c2C1.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is OUFKPDKNCKEDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-13-3-6-2-12-14(7(6)4-13)5-8(9,10)11/h2H,3-5H2,1H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 205.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 70875698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).