2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

C12H10F3N3 — CID 91654293

IUPAC2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)(F)c1c2c(nn1-c1ccccc1)CNC2
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-9-6-16-7-10(9)17-18(11)8-4-2-1-3-5-8/h1-5,16H,6-7H2
InChIKeyNEVRDSILTJDDHA-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.49
Rot. Bonds1

About 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole

2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 91654293) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID91654293
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESFC(F)(F)c1c2c(nn1-c1ccccc1)CNC2
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-9-6-16-7-10(9)17-18(11)8-4-2-1-3-5-8/h1-5,16H,6-7H2
InChIKeyNEVRDSILTJDDHA-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 90162092
phenyl-[1-phenyl-3,5-bis(trifluoromethyl)pyrazol-4-yl]methanone
CID 162535186
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
1-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]piperazine
CID 23014217
3-benzyl-2-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 112710554
1-[3-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64856076
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
1-phenyl-5-(trifluoromethyl)tetrazole
CID 11206655
3-(4-chlorophenyl)-2-(2-nitrophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 102357687
6-oxo-1-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)pyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166196518
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 91654293) is 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is FC(F)(F)c1c2c(nn1-c1ccccc1)CNC2.
What is the InChIKey of 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is NEVRDSILTJDDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)11-9-6-16-7-10(9)17-18(11)8-4-2-1-3-5-8/h1-5,16H,6-7H2.
What are the key properties of 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 253.23 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 91654293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).