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

C14H17N5S — CID 79300054

IUPAC3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(SC)cc1
InChIInChI=1S/C14H17N5S/c1-4-11-12-13(18(2)17-11)19(14(15)16-12)9-5-7-10(20-3)8-6-9/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyKYTIXBKKJOJMMA-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.63
Rot. Bonds3

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

3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79300054) has the molecular formula C14H17N5S and a molecular weight of 287.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79300054
Molecular FormulaC14H17N5S
Molecular Weight287.39 g/mol
Exact Mass287.12
IUPAC Name3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(SC)cc1
InChIInChI=1S/C14H17N5S/c1-4-11-12-13(18(2)17-11)19(14(15)16-12)9-5-7-10(20-3)8-6-9/h5-8H,4H2,1-3H3,(H2,15,16)
InChIKeyKYTIXBKKJOJMMA-UHFFFAOYSA-N
XLogP2.63
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586
6-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79280309
6-(4-bromo-3-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107613979
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
6-(3-bromo-2-methylphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 107637224
6-(3-chloro-4-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280827
6-(5-chloro-2-methoxyphenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79279771
6-(4-bromo-3-chlorophenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107614001
4-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-3-bromobenzonitrile
CID 107791678
5-(1-chloroethyl)-6-(4-chlorophenyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79282601
6-(3-methoxyphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281273

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine (CID 79300054) is 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1ccc(SC)cc1.
What is the InChIKey of 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is KYTIXBKKJOJMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S/c1-4-11-12-13(18(2)17-11)19(14(15)16-12)9-5-7-10(20-3)8-6-9/h5-8H,4H2,1-3H3,(H2,15,16).
What are the key properties of 3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 287.39 g/mol, XLogP of 2.63, 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-(4-methylsulfanylphenyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79300054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).