1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine

C10H13F4N5 — CID 106294620

IUPAC1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC(F)(F)C(F)F)c21
InChIInChI=1S/C10H13F4N5/c1-3-19-7-6(5(2)17-19)16-9(15)18(7)4-10(13,14)8(11)12/h8H,3-4H2,1-2H3,(H2,15,16)
InChIKeyNPMDPLSJXINJAJ-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.04
Rot. Bonds4

About 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine

1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 106294620) has the molecular formula C10H13F4N5 and a molecular weight of 279.24 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID106294620
Molecular FormulaC10H13F4N5
Molecular Weight279.24 g/mol
Exact Mass279.11
IUPAC Name1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC(F)(F)C(F)F)c21
InChIInChI=1S/C10H13F4N5/c1-3-19-7-6(5(2)17-19)16-9(15)18(7)4-10(13,14)8(11)12/h8H,3-4H2,1-2H3,(H2,15,16)
InChIKeyNPMDPLSJXINJAJ-UHFFFAOYSA-N
XLogP2.04
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine (CID 106294620) is 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC(F)(F)C(F)F)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is NPMDPLSJXINJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N5/c1-3-19-7-6(5(2)17-19)16-9(15)18(7)4-10(13,14)8(11)12/h8H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 279.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 106294620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).