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

C14H19N5S — CID 79300681

IUPAC3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1ccc(C)s1
InChIInChI=1S/C14H19N5S/c1-5-10-12-13(18(4)17-10)19(14(15)16-12)9(3)11-7-6-8(2)20-11/h6-7,9H,5H2,1-4H3,(H2,15,16)
InChIKeyGXCPGXLYLHGPAN-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.89
Rot. Bonds3

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

3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79300681) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79300681
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C(C)c1ccc(C)s1
InChIInChI=1S/C14H19N5S/c1-5-10-12-13(18(4)17-10)19(14(15)16-12)9(3)11-7-6-8(2)20-11/h6-7,9H,5H2,1-4H3,(H2,15,16)
InChIKeyGXCPGXLYLHGPAN-UHFFFAOYSA-N
XLogP2.89
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 79300681) is 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C(C)c1ccc(C)s1.
What is the InChIKey of 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is GXCPGXLYLHGPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-5-10-12-13(18(4)17-10)19(14(15)16-12)9(3)11-7-6-8(2)20-11/h6-7,9H,5H2,1-4H3,(H2,15,16).
What are the key properties of 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 289.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79300681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).