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

C6H6F3N3 — CID 50989373

IUPAC3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CNC2
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-3-1-10-2-4(3)11-12-5/h10H,1-2H2,(H,11,12)
InChIKeyFIVXVFWOXHQVFJ-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.03
Rot. Bonds

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

3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 50989373) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID50989373
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC Name3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)c1n[nH]c2c1CNC2
InChIInChI=1S/C6H6F3N3/c7-6(8,9)5-3-1-10-2-4(3)11-12-5/h10H,1-2H2,(H,11,12)
InChIKeyFIVXVFWOXHQVFJ-UHFFFAOYSA-N
XLogP1.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine hydrochloride
CID 66970081
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine
CID 45480287
1-Methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 54772405
2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 83847134
3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine
CID 84732000
3-iodo-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 117614475
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287
3-propan-2-yl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489372
3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
CID 118491639
3-methyl-5-(3,3,3-trifluoropropyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
CID 118491729
3-methyl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazole
CID 118491780
N-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-1-amine
CID 135215761

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 50989373) is 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is FC(F)(F)c1n[nH]c2c1CNC2.
What is the InChIKey of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is FIVXVFWOXHQVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)5-3-1-10-2-4(3)11-12-5/h10H,1-2H2,(H,11,12).
What are the key properties of 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 177.13 g/mol, XLogP of 1.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 50989373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).