2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone

C8H8F3N3O — CID 135209258

IUPAC2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCn1ncc2c1CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H8F3N3O/c1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11/h2H,3-4H2,1H3
InChIKeyDDVSDHYMESHEJD-UHFFFAOYSA-N
MW219.17 g/mol
LogP0.82
Rot. Bonds

About 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone

2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone (PubChem CID 135209258) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
PubChem CID135209258
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCn1ncc2c1CN(C(=O)C(F)(F)F)C2
InChIInChI=1S/C8H8F3N3O/c1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11/h2H,3-4H2,1H3
InChIKeyDDVSDHYMESHEJD-UHFFFAOYSA-N
XLogP0.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-sulfanylpropanamide
CID 177681578
N-((1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl)-2,2,2-trifluoroacetamide
CID 4437626
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 57931331
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 59215135
5-Propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 67986556
tert-Butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
CID 68268584
5-Methyl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 68396488
5-Methyl-1-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 70875698
5-Tert-butyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 70937960
5-Ethyl-2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 70938159
2-(2-fluoro-2-methyl-propyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 83855094
2-(2-Fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 89723619

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone (CID 135209258) is 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone is Cn1ncc2c1CN(C(=O)C(F)(F)F)C2.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The InChIKey is DDVSDHYMESHEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11/h2H,3-4H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone has a molecular weight of 219.17 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone is sourced from PubChem (CID 135209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).