3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine

C15H19N5S — CID 79281757

IUPAC3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C1CCCc2sccc21
InChIInChI=1S/C15H19N5S/c1-3-10-13-14(19(2)18-10)20(15(16)17-13)11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6H2,1-2H3,(H2,16,17)
InChIKeyWENJKXVTADUENZ-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.90
Rot. Bonds2

About 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine

3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79281757) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79281757
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2C1CCCc2sccc21
InChIInChI=1S/C15H19N5S/c1-3-10-13-14(19(2)18-10)20(15(16)17-13)11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6H2,1-2H3,(H2,16,17)
InChIKeyWENJKXVTADUENZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(chloromethyl)-1,3-dimethyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazole
CID 79276136
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)piperidine-2,6-dione
CID 79300482
4-amino-3-ethyl-1-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazole-5-carboxamide
CID 66117601
5-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-1-methylpiperidin-2-one
CID 79300481
5-iodo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-2-amine
CID 66080019
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300054
2-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-5-amine
CID 62842817
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-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299850
5,6-diethyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1,2,4-triazin-3-amine
CID 105362612
2-ethyl-6-hydrazinyl-5-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrimidin-4-amine
CID 81007227

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine (CID 79281757) is 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2C1CCCc2sccc21.
What is the InChIKey of 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is WENJKXVTADUENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-3-10-13-14(19(2)18-10)20(15(16)17-13)11-5-4-6-12-9(11)7-8-21-12/h7-8,11H,3-6H2,1-2H3,(H2,16,17).
What are the key properties of 3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 301.42 g/mol, XLogP of 2.90, 2 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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79281757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).