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

C13H23F2N3 — CID 176692194

IUPAC2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane
SMILESCC.CC(C)N1Cc2cn(CC(C)(F)F)nc2C1
InChIInChI=1S/C11H17F2N3.C2H6/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3
InChIKeyKKAZRDNJFPSBDR-UHFFFAOYSA-N
MW259.34 g/mol
LogP3.29
Rot. Bonds3

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

2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane (PubChem CID 176692194) has the molecular formula C13H23F2N3 and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane.

Molecular Properties

Compound Name2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane
PubChem CID176692194
Molecular FormulaC13H23F2N3
Molecular Weight259.34 g/mol
Exact Mass259.19
IUPAC Name2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane
SMILESCC.CC(C)N1Cc2cn(CC(C)(F)F)nc2C1
InChIInChI=1S/C11H17F2N3.C2H6/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3
InChIKeyKKAZRDNJFPSBDR-UHFFFAOYSA-N
XLogP3.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.29
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;ethane?
The IUPAC name of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane (CID 176692194) is 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane.
What is the SMILES notation for 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane?
The canonical SMILES for 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane is CC.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;ethane?
The InChIKey is KKAZRDNJFPSBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3.C2H6/c1-8(2)15-4-9-5-16(7-11(3,12)13)14-10(9)6-15;1-2/h5,8H,4,6-7H2,1-3H3;1-2H3.
What are the key properties of 2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane?
2-(2,2-difluoropropyl)-5-propan-2-yl-4,6-dihydropyrrolo[3,4-c]pyrazole;ethane has a molecular weight of 259.34 g/mol, XLogP of 3.29, 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;ethane is sourced from PubChem (CID 176692194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).