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

C9H12F3N3 — CID 67986556

IUPAC5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)N1Cc2cnn(C(F)(F)F)c2C1
InChIInChI=1S/C9H12F3N3/c1-6(2)14-4-7-3-13-15(8(7)5-14)9(10,11)12/h3,6H,4-5H2,1-2H3
InChIKeyXATLFKMWCSCZDS-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.08
Rot. Bonds1

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

5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 67986556) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID67986556
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)N1Cc2cnn(C(F)(F)F)c2C1
InChIInChI=1S/C9H12F3N3/c1-6(2)14-4-7-3-13-15(8(7)5-14)9(10,11)12/h3,6H,4-5H2,1-2H3
InChIKeyXATLFKMWCSCZDS-UHFFFAOYSA-N
XLogP2.08
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 67986556) is 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is CC(C)N1Cc2cnn(C(F)(F)F)c2C1.
What is the InChIKey of 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is XATLFKMWCSCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6(2)14-4-7-3-13-15(8(7)5-14)9(10,11)12/h3,6H,4-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole?
5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 219.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 67986556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).