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

C13H13F2N5 — CID 79305615

IUPAC6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(F)ccc3F)c21
InChIInChI=1S/C13H13F2N5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyLLUDTKCSUOJWSM-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.41
Rot. Bonds2

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

6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305615) has the molecular formula C13H13F2N5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305615
Molecular FormulaC13H13F2N5
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3cc(F)ccc3F)c21
InChIInChI=1S/C13H13F2N5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H2,16,17)
InChIKeyLLUDTKCSUOJWSM-UHFFFAOYSA-N
XLogP2.41
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.41
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-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine (CID 79305615) is 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3cc(F)ccc3F)c21.
What is the InChIKey of 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is LLUDTKCSUOJWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5/c1-3-19-12-11(7(2)18-19)17-13(16)20(12)10-6-8(14)4-5-9(10)15/h4-6H,3H2,1-2H3,(H2,16,17).
What are the key properties of 6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine?
6-(2,5-difluorophenyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 277.28 g/mol, XLogP of 2.41, 2 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-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).