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

C7H8F3N3 — CID 59215135

IUPAC1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)Cn1ncc2c1CNC2
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-13-6-3-11-1-5(6)2-12-13/h2,11H,1,3-4H2
InChIKeyLXOOPCIAAUCLDV-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.05
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (PubChem CID 59215135) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
PubChem CID59215135
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
SMILESFC(F)(F)Cn1ncc2c1CNC2
InChIInChI=1S/C7H8F3N3/c8-7(9,10)4-13-6-3-11-1-5(6)2-12-13/h2,11H,1,3-4H2
InChIKeyLXOOPCIAAUCLDV-UHFFFAOYSA-N
XLogP1.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 59818031
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole dihydrochloride
CID 54772414
[1-methyl-4-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 115015283
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050
1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 573114
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanamine
CID 126844201
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 10878060
1-Ethyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 20686646
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 57931331

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole (CID 59215135) is 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is FC(F)(F)Cn1ncc2c1CNC2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
The InChIKey is LXOOPCIAAUCLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)4-13-6-3-11-1-5(6)2-12-13/h2,11H,1,3-4H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole?
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole has a molecular weight of 191.16 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 59215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).