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

C9H12F3N3 — CID 90162092

IUPAC2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)CNC2
InChIInChI=1S/C9H12F3N3/c1-5(2)15-8(9(10,11)12)6-3-13-4-7(6)14-15/h5,13H,3-4H2,1-2H3
InChIKeyQKRNMCHBZGBBET-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.09
Rot. Bonds1

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

2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 90162092) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
PubChem CID90162092
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
SMILESCC(C)n1nc2c(c1C(F)(F)F)CNC2
InChIInChI=1S/C9H12F3N3/c1-5(2)15-8(9(10,11)12)6-3-13-4-7(6)14-15/h5,13H,3-4H2,1-2H3
InChIKeyQKRNMCHBZGBBET-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole (CID 90162092) is 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is CC(C)n1nc2c(c1C(F)(F)F)CNC2.
What is the InChIKey of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is QKRNMCHBZGBBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-5(2)15-8(9(10,11)12)6-3-13-4-7(6)14-15/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole?
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 219.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 90162092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).