2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one

C12H8F3N3O — CID 177050871

IUPAC2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one
SMILESO=C1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)11-5-7(1-3-16-11)8-6-9-10(19)2-4-18(9)17-8/h1,3,5-6H,2,4H2
InChIKeyYXVPAIVNRDULCW-UHFFFAOYSA-N
MW267.21 g/mol
LogP2.55
Rot. Bonds1

About 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one

2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one (PubChem CID 177050871) has the molecular formula C12H8F3N3O and a molecular weight of 267.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one
PubChem CID177050871
Molecular FormulaC12H8F3N3O
Molecular Weight267.21 g/mol
Exact Mass267.06
IUPAC Name2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one
SMILESO=C1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C12H8F3N3O/c13-12(14,15)11-5-7(1-3-16-11)8-6-9-10(19)2-4-18(9)17-8/h1,3,5-6H,2,4H2
InChIKeyYXVPAIVNRDULCW-UHFFFAOYSA-N
XLogP2.55
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one?
The IUPAC name of 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one (CID 177050871) is 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one.
What is the SMILES notation for 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one?
The canonical SMILES for 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one is O=C1CCn2nc(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one?
The InChIKey is YXVPAIVNRDULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O/c13-12(14,15)11-5-7(1-3-16-11)8-6-9-10(19)2-4-18(9)17-8/h1,3,5-6H,2,4H2.
What are the key properties of 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one?
2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one has a molecular weight of 267.21 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)-4-pyridinyl]-5,6-dihydropyrrolo[2,1-e]pyrazol-4-one is sourced from PubChem (CID 177050871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).