2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

C13H14FN3 — CID 168867908

IUPAC2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILESCC1(C)Cc2cc(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C13H14FN3/c1-13(2)6-10-5-12(16-17(10)8-13)11-4-3-9(14)7-15-11/h3-5,7H,6,8H2,1-2H3
InChIKeyFXPNQDCYQMKXRT-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.67
Rot. Bonds1

About 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole

2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole (PubChem CID 168867908) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
PubChem CID168867908
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILESCC1(C)Cc2cc(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C13H14FN3/c1-13(2)6-10-5-12(16-17(10)8-13)11-4-3-9(14)7-15-11/h3-5,7H,6,8H2,1-2H3
InChIKeyFXPNQDCYQMKXRT-UHFFFAOYSA-N
XLogP2.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 175947440
[2-(5-fluoro-2-pyridinyl)-6-(oxetan-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[1,5-a]pyridin-6-yl]methyl methanesulfonate
CID 162760367
(3-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 155513245
5-[[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-2-methylpyrimidin-4-amine
CID 118048148
7-bromo-6-(5-fluoro-2-pyridinyl)-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole
CID 162760266
3-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 140673910
3-bromo-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760429
2-(2,4-difluorophenyl)-5-fluoropyridine
CID 130334925
3-(1-ethylpyrazolo[3,4-b]pyridin-5-yl)-2-(5-fluoro-2-pyridinyl)-6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine
CID 162760581
2-(5-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813488
2-(5-fluoro-2-pyridinyl)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 79713618
5-fluoro-2-[1-(2-methylpropyl)pyrazol-3-yl]pyridine
CID 118201025

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole (CID 168867908) is 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole is CC1(C)Cc2cc(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
The InChIKey is FXPNQDCYQMKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c1-13(2)6-10-5-12(16-17(10)8-13)11-4-3-9(14)7-15-11/h3-5,7H,6,8H2,1-2H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole?
2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole has a molecular weight of 231.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 168867908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).