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

C9H10F3N3O — CID 90167965

IUPAC1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
SMILESCC(=O)N1Cc2c(C(F)(F)F)nn(C)c2C1
InChIInChI=1S/C9H10F3N3O/c1-5(16)15-3-6-7(4-15)14(2)13-8(6)9(10,11)12/h3-4H2,1-2H3
InChIKeyUZHYVHVCMXVEHW-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.30
Rot. Bonds

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

1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (PubChem CID 90167965) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
PubChem CID90167965
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone
SMILESCC(=O)N1Cc2c(C(F)(F)F)nn(C)c2C1
InChIInChI=1S/C9H10F3N3O/c1-5(16)15-3-6-7(4-15)14(2)13-8(6)9(10,11)12/h3-4H2,1-2H3
InChIKeyUZHYVHVCMXVEHW-UHFFFAOYSA-N
XLogP1.30
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyrrolidin-1-YL)-2-[3-(trifluoromethyl)-4H,5H,6H-cyclopenta[C]pyrazol-1-YL]ethanone
CID 1129753
N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 1129754
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1129743
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 4769507
2-[4-Chloro-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-YL]-N~1~-methyl-N~1~-[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]acetamide
CID 4768790
1-Methyl-3-(trifluoromethyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 54772405
2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 70851830
5-Methyl-1-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 71204665
2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 83847134
1-[1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 89583810
2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole
CID 90162092
5-Methyl-2-propan-2-yl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole
CID 90162095

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The IUPAC name of 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone (CID 90167965) is 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The canonical SMILES for 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is CC(=O)N1Cc2c(C(F)(F)F)nn(C)c2C1.
What is the InChIKey of 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
The InChIKey is UZHYVHVCMXVEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5(16)15-3-6-7(4-15)14(2)13-8(6)9(10,11)12/h3-4H2,1-2H3.
What are the key properties of 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone?
1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone has a molecular weight of 233.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]ethanone is sourced from PubChem (CID 90167965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).