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

C9H12F3N5 — CID 79299633

IUPAC3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C9H12F3N5/c1-3-5-6-7(16(2)15-5)17(8(13)14-6)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyCRSQIFIKVQKUAC-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.48
Rot. Bonds2

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

3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299633) has the molecular formula C9H12F3N5 and a molecular weight of 247.22 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299633
Molecular FormulaC9H12F3N5
Molecular Weight247.22 g/mol
Exact Mass247.10
IUPAC Name3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CC(F)(F)F
InChIInChI=1S/C9H12F3N5/c1-3-5-6-7(16(2)15-5)17(8(13)14-6)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14)
InChIKeyCRSQIFIKVQKUAC-UHFFFAOYSA-N
XLogP1.48
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79299633) is 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CC(F)(F)F.
What is the InChIKey of 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is CRSQIFIKVQKUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5/c1-3-5-6-7(16(2)15-5)17(8(13)14-6)4-9(10,11)12/h3-4H2,1-2H3,(H2,13,14).
What are the key properties of 3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 247.22 g/mol, XLogP of 1.48, 2 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-(2,2,2-trifluoroethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).