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

C11H17F2N3 — CID 90162113

IUPAC3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CN(C)C2
InChIInChI=1S/C11H17F2N3/c1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13/h7H,5-6H2,1-4H3
InChIKeyDOAXPDUJOILVGZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.52
Rot. Bonds2

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

3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (PubChem CID 90162113) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
PubChem CID90162113
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1CN(C)C2
InChIInChI=1S/C11H17F2N3/c1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13/h7H,5-6H2,1-4H3
InChIKeyDOAXPDUJOILVGZ-UHFFFAOYSA-N
XLogP2.52
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole (CID 90162113) is 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1CN(C)C2.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
The InChIKey is DOAXPDUJOILVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-7(2)16-9-6-15(4)5-8(9)10(14-16)11(3,12)13/h7H,5-6H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole?
3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole has a molecular weight of 229.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-methyl-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 90162113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).