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

C11H17F2N3 — CID 176692195

IUPAC2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(CC(C)(F)F)nc2C1
InChIInChI=1S/C11H17F2N3/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15/h5,8H,4,6-7H2,1-3H3
InChIKeyIYYPCIAMCLMSTI-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.26
Rot. Bonds3

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

2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole (PubChem CID 176692195) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
PubChem CID176692195
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole
SMILESCC(C)N1Cc2cn(CC(C)(F)F)nc2C1
InChIInChI=1S/C11H17F2N3/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15/h5,8H,4,6-7H2,1-3H3
InChIKeyIYYPCIAMCLMSTI-UHFFFAOYSA-N
XLogP2.26
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The IUPAC name of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole (CID 176692195) is 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The canonical SMILES for 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole is CC(C)N1Cc2cn(CC(C)(F)F)nc2C1.
What is the InChIKey of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
The InChIKey is IYYPCIAMCLMSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15/h5,8H,4,6-7H2,1-3H3.
What are the key properties of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole?
2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole has a molecular weight of 229.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 176692195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).