ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C13H22F3N3 — CID 176692956

IUPACethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC.CC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3.C2H6/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3
InChIKeyYYFFUXYRAGRXHG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.76
Rot. Bonds2

About ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 176692956) has the molecular formula C13H22F3N3 and a molecular weight of 277.33 g/mol. Its IUPAC name is ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Nameethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID176692956
Molecular FormulaC13H22F3N3
Molecular Weight277.33 g/mol
Exact Mass277.18
IUPAC Nameethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC.CC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3.C2H6/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3
InChIKeyYYFFUXYRAGRXHG-UHFFFAOYSA-N
XLogP3.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 176692956) is ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CC.CC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1.
What is the InChIKey of ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is YYFFUXYRAGRXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3.C2H6/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14;1-2/h5,7-8H,4,6H2,1-3H3;1-2H3.
What are the key properties of ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 277.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 176692956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).