2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole

C14H15FN2 — CID 175947440

IUPAC2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2cc(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C14H15FN2/c1-14(2)8-12-7-13(16-17(12)9-14)10-3-5-11(15)6-4-10/h3-7H,8-9H2,1-2H3/i1D3,2D3
InChIKeyFMSGXEFHQMPNCL-WFGJKAKNSA-N
MW236.32 g/mol
LogP3.27
Rot. Bonds3

About 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole

2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole (PubChem CID 175947440) has the molecular formula C14H15FN2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
PubChem CID175947440
Molecular FormulaC14H15FN2
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2cc(-c3ccc(F)cc3)nn2C1
InChIInChI=1S/C14H15FN2/c1-14(2)8-12-7-13(16-17(12)9-14)10-3-5-11(15)6-4-10/h3-7H,8-9H2,1-2H3/i1D3,2D3
InChIKeyFMSGXEFHQMPNCL-WFGJKAKNSA-N
XLogP3.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-pyridinyl)-5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazole
CID 168867908
3-bromo-5,5-bis(deuteriomethyl)-2-(4-fluorophenyl)-4,6-dihydropyrrolo[1,2-b]pyrazole
CID 175892955
2-(4-fluorophenyl)-5-(2-phenylethyl)-4,7-dihydropyrazolo[1,5-a]pyrazin-6-one
CID 122369527
2-(4-fluorophenyl)-7,7-dimethyl-6,8-dihydropyrrolo[1,2-a]pyrimidin-4-one
CID 125450833
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
CID 118061988
2-(4-fluorophenyl)-6,6,7-trimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine
CID 162760635
2-(4-fluorophenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118069137
4-[2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]-1H-pyrazolo[3,4-b]pyridine
CID 162760469
3-(4-fluorophenyl)pyrazole-1,5-diamine
CID 23084895
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
[2-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyridin-3-ylmethanone
CID 167130728
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole (CID 175947440) is 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])Cc2cc(-c3ccc(F)cc3)nn2C1.
What is the InChIKey of 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole?
The InChIKey is FMSGXEFHQMPNCL-WFGJKAKNSA-N. The full InChI is InChI=1S/C14H15FN2/c1-14(2)8-12-7-13(16-17(12)9-14)10-3-5-11(15)6-4-10/h3-7H,8-9H2,1-2H3/i1D3,2D3.
What are the key properties of 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole?
2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole has a molecular weight of 236.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,5-bis(trideuteriomethyl)-4,6-dihydropyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 175947440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).