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

C12H18F3N5 — CID 115520904

IUPAC3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCCCC(F)(F)F
InChIInChI=1S/C12H18F3N5/c1-3-8-9-10(19(2)18-8)20(11(16)17-9)7-5-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17)
InChIKeyQILZBEHVRCBBKN-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.65
Rot. Bonds5

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

3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 115520904) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID115520904
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC Name3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCCCC(F)(F)F
InChIInChI=1S/C12H18F3N5/c1-3-8-9-10(19(2)18-8)20(11(16)17-9)7-5-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17)
InChIKeyQILZBEHVRCBBKN-UHFFFAOYSA-N
XLogP2.65
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine (CID 115520904) is 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCCCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is QILZBEHVRCBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-3-8-9-10(19(2)18-8)20(11(16)17-9)7-5-4-6-12(13,14)15/h3-7H2,1-2H3,(H2,16,17).
What are the key properties of 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 289.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-(5,5,5-trifluoropentyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 115520904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).