5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

C11H16F3N3 — CID 176692658

IUPAC5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14/h5,7-8H,4,6H2,1-3H3
InChIKeySUOSSAVOJMFINZ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.73
Rot. Bonds2

About 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole

5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 176692658) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID176692658
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1
InChIInChI=1S/C11H16F3N3/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14/h5,7-8H,4,6H2,1-3H3
InChIKeySUOSSAVOJMFINZ-UHFFFAOYSA-N
XLogP2.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole with MolForge

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Related Compounds

1-methyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole dihydrochloride
CID 54772414
[4-(difluoromethyl)-1-methyl-1H-pyrazol-3-yl]methanamine
CID 121351490
N-cyclopentyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 91767126
1-(1-ethyl-1H-pyrazol-3-yl)-N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 118773108
1-isopropyl-4-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2779429
1-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 10878060
1-Ethyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 20686646
4-Methyl-1-propyl-5-(trifluoromethyl)pyrazole
CID 20686656
3-Difluoromethyl-1,4-dimethylpyrazole
CID 22980781
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-(Difluoromethyl)-1,4-dimethyl-1h-pyrazole
CID 59559820

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 176692658) is 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole is CC(C)N1Cc2cn(C(C)C(F)(F)F)nc2C1.
What is the InChIKey of 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is SUOSSAVOJMFINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-7(2)16-4-9-5-17(15-10(9)6-16)8(3)11(12,13)14/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole?
5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 247.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(1,1,1-trifluoropropan-2-yl)-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 176692658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).