5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

C7H8F3N3 — CID 172550996

IUPAC5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)CN1Cc2cn[nH]c2C1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-13-2-5-1-11-12-6(5)3-13/h1H,2-4H2,(H,11,12)
InChIKeyBUMICHJJXOHEJK-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.29
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole

5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (PubChem CID 172550996) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
PubChem CID172550996
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)CN1Cc2cn[nH]c2C1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-13-2-5-1-11-12-6(5)3-13/h1H,2-4H2,(H,11,12)
InChIKeyBUMICHJJXOHEJK-UHFFFAOYSA-N
XLogP1.29
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[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

Related Compounds

1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole
CID 10943091
5-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 18343529
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 124292071
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 59215135
5-Propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 67986556
5-Methyl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 68396488
5-Methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 70875698
1-((3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)piperazine
CID 82620222
3-iodo-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 117614475
1-(2,2-Difluoroethyl)-5-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 118974330
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone
CID 130657258
1,4,5,6-Tetrahydropyrrolo[3,4-d]pyrazole;2,2,2-trifluoroacetic acid
CID 156537404

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole (CID 172550996) is 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is FC(F)(F)CN1Cc2cn[nH]c2C1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
The InChIKey is BUMICHJJXOHEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)4-13-2-5-1-11-12-6(5)3-13/h1H,2-4H2,(H,11,12).
What are the key properties of 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole?
5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole has a molecular weight of 191.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 172550996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).