3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one

C9H10F3N3O — CID 118491639

IUPAC3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
SMILESCc1[nH]nc2c1CN(C(=O)CC(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O/c1-5-6-3-15(4-7(6)14-13-5)8(16)2-9(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyYWQJBEPXLCLGBB-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.51
Rot. Bonds1

About 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one

3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one (PubChem CID 118491639) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
PubChem CID118491639
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
SMILESCc1[nH]nc2c1CN(C(=O)CC(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O/c1-5-6-3-15(4-7(6)14-13-5)8(16)2-9(10,11)12/h2-4H2,1H3,(H,13,14)
InChIKeyYWQJBEPXLCLGBB-UHFFFAOYSA-N
XLogP1.51
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Boc-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-C]pyrazole
CID 72207598
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 70718457
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 77092657
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 86808592
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4,4,4-trifluorobutanamide
CID 99949285
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-2-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 132383817
(4,5-dimethyl-1H-pyrazol-3-yl)-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]methanone
CID 164629394
3-(trifluoromethyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole
CID 50989373
1-[3-(Trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583878
1-[1-Propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90162765
1-[1-Methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 90167965
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one (CID 118491639) is 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one is Cc1[nH]nc2c1CN(C(=O)CC(F)(F)F)C2.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one?
The InChIKey is YWQJBEPXLCLGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-6-3-15(4-7(6)14-13-5)8(16)2-9(10,11)12/h2-4H2,1H3,(H,13,14).
What are the key properties of 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one?
3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one has a molecular weight of 233.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methyl-4,6-dihydro-2H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one is sourced from PubChem (CID 118491639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).