1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

C11H16F3N3O3 — CID 131735109

IUPAC1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)Cn1cc2c(n1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O.C2HF3O2/c1-9(2,13)6-12-5-7-3-10-4-8(7)11-12;3-2(4,5)1(6)7/h5,10,13H,3-4,6H2,1-2H3;(H,6,7)
InChIKeyPFVHWSLOMHSFEX-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.89
Rot. Bonds2

About 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid

1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 131735109) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID131735109
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)(O)Cn1cc2c(n1)CNC2.O=C(O)C(F)(F)F
InChIInChI=1S/C9H15N3O.C2HF3O2/c1-9(2,13)6-12-5-7-3-10-4-8(7)11-12;3-2(4,5)1(6)7/h5,10,13H,3-4,6H2,1-2H3;(H,6,7)
InChIKeyPFVHWSLOMHSFEX-UHFFFAOYSA-N
XLogP0.89
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid (CID 131735109) is 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is CC(C)(O)Cn1cc2c(n1)CNC2.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is PFVHWSLOMHSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C2HF3O2/c1-9(2,13)6-12-5-7-3-10-4-8(7)11-12;3-2(4,5)1(6)7/h5,10,13H,3-4,6H2,1-2H3;(H,6,7).
What are the key properties of 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid?
1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 295.26 g/mol, XLogP of 0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl)-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131735109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).