6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

C12H11F2N5 — CID 79297421

IUPAC6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cc(F)ccc1F
InChIInChI=1S/C12H11F2N5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16)
InChIKeyBRIYITGRBZFBER-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.93
Rot. Bonds1

About 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine

6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79297421) has the molecular formula C12H11F2N5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79297421
Molecular FormulaC12H11F2N5
Molecular Weight263.25 g/mol
Exact Mass263.10
IUPAC Name6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine
SMILESCc1nn(C)c2c1nc(N)n2-c1cc(F)ccc1F
InChIInChI=1S/C12H11F2N5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16)
InChIKeyBRIYITGRBZFBER-UHFFFAOYSA-N
XLogP1.93
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine (CID 79297421) is 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is Cc1nn(C)c2c1nc(N)n2-c1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is BRIYITGRBZFBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5/c1-6-10-11(18(2)17-6)19(12(15)16-10)9-5-7(13)3-4-8(9)14/h3-5H,1-2H3,(H2,15,16).
What are the key properties of 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine?
6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 263.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenyl)-1,3-dimethylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79297421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).