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

C11H16F3N5 — CID 115520876

IUPAC3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCCC(F)(F)F
InChIInChI=1S/C11H16F3N5/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)6-4-5-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyDAXLLTARCPFRGI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.26
Rot. Bonds4

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

3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 115520876) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID115520876
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCCC(F)(F)F
InChIInChI=1S/C11H16F3N5/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)6-4-5-11(12,13)14/h3-6H2,1-2H3,(H2,15,16)
InChIKeyDAXLLTARCPFRGI-UHFFFAOYSA-N
XLogP2.26
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine (CID 115520876) is 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCCC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is DAXLLTARCPFRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-3-7-8-9(18(2)17-7)19(10(15)16-8)6-4-5-11(12,13)14/h3-6H2,1-2H3,(H2,15,16).
What are the key properties of 3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 275.28 g/mol, XLogP of 2.26, 4 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-(4,4,4-trifluorobutyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 115520876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).