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

C12H15N5S — CID 79299850

IUPAC3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2Cc1ccsc1
InChIInChI=1S/C12H15N5S/c1-3-9-10-11(16(2)15-9)17(12(13)14-10)6-8-4-5-18-7-8/h4-5,7H,3,6H2,1-2H3,(H2,13,14)
InChIKeyPEHCEJWOKKYGGX-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.02
Rot. Bonds3

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

3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79299850) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79299850
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2Cc1ccsc1
InChIInChI=1S/C12H15N5S/c1-3-9-10-11(16(2)15-9)17(12(13)14-10)6-8-4-5-18-7-8/h4-5,7H,3,6H2,1-2H3,(H2,13,14)
InChIKeyPEHCEJWOKKYGGX-UHFFFAOYSA-N
XLogP2.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304886
1,3-dimethyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79297435
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300537
6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299647
3-ethyl-1-methyl-6-(2-pyridin-4-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300470
3-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299715
3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
CID 104591885
2-amino-7-ethyl-3-(thiophen-3-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 142642233
6-[2-[cyclopropyl(methyl)amino]ethyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79300408
3-ethyl-1-methyl-6-(3-propoxypropyl)imidazo[4,5-d]pyrazol-5-amine
CID 82943985
ethyl 3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)propanoate
CID 79299714
4,6-difluoro-1-(thiophen-3-ylmethyl)benzimidazol-2-amine
CID 115508867

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine (CID 79299850) is 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2Cc1ccsc1.
What is the InChIKey of 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is PEHCEJWOKKYGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-3-9-10-11(16(2)15-9)17(12(13)14-10)6-8-4-5-18-7-8/h4-5,7H,3,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 261.35 g/mol, XLogP of 2.02, 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-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79299850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).