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

C13H17N5O — CID 79300400

IUPAC3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1ccco1
InChIInChI=1S/C13H17N5O/c1-4-9-11-12(17(3)16-9)18(13(14)15-11)8(2)10-6-5-7-19-10/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyZHIWDIRXHVEEKF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.12
Rot. Bonds3

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

3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79300400) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79300400
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1ccco1
InChIInChI=1S/C13H17N5O/c1-4-9-11-12(17(3)16-9)18(13(14)15-11)8(2)10-6-5-7-19-10/h5-8H,4H2,1-3H3,(H2,14,15)
InChIKeyZHIWDIRXHVEEKF-UHFFFAOYSA-N
XLogP2.12
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299984
3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79300681
6-(3,3-dimethylbutan-2-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 113457913
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79302574
4,6-difluoro-1-[1-(furan-2-yl)ethyl]benzimidazol-2-amine
CID 115508677
3-[1-(furan-2-yl)ethyl]-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288522
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586
6-[1-(5-chlorothiophen-2-yl)ethyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280689
3-ethyl-1-methyl-6-[1-(1,3-thiazol-2-yl)propyl]imidazo[4,5-d]pyrazol-5-amine
CID 79299995
3-ethyl-1-methyl-6-(3-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279585
6-[2-(dimethylamino)phenyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 106760271
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine (CID 79300400) is 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C(C)c1ccco1.
What is the InChIKey of 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ZHIWDIRXHVEEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-4-9-11-12(17(3)16-9)18(13(14)15-11)8(2)10-6-5-7-19-10/h5-8H,4H2,1-3H3,(H2,14,15).
What are the key properties of 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine?
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 259.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79300400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).