6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one

C9H11FN2O — CID 166663562

IUPAC6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one
SMILESCC(C)(F)C1CC(=O)c2ccnn21
InChIInChI=1S/C9H11FN2O/c1-9(2,10)8-5-7(13)6-3-4-11-12(6)8/h3-4,8H,5H2,1-2H3
InChIKeyGITFZGQFBRFDLC-UHFFFAOYSA-N
MW182.20 g/mol
LogP1.76
Rot. Bonds1

About 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one

6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one (PubChem CID 166663562) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one
PubChem CID166663562
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one
SMILESCC(C)(F)C1CC(=O)c2ccnn21
InChIInChI=1S/C9H11FN2O/c1-9(2,10)8-5-7(13)6-3-4-11-12(6)8/h3-4,8H,5H2,1-2H3
InChIKeyGITFZGQFBRFDLC-UHFFFAOYSA-N
XLogP1.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one?
The IUPAC name of 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one (CID 166663562) is 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one is CC(C)(F)C1CC(=O)c2ccnn21.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one?
The InChIKey is GITFZGQFBRFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-9(2,10)8-5-7(13)6-3-4-11-12(6)8/h3-4,8H,5H2,1-2H3.
What are the key properties of 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one?
6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one has a molecular weight of 182.20 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-5,6-dihydropyrrolo[1,2-b]pyrazol-4-one is sourced from PubChem (CID 166663562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).