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

C16H27N5 — CID 79282728

IUPAC3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCC1CCC(C)CC1
InChIInChI=1S/C16H27N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-9-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H2,17,18)
InChIKeyXTWKVIMUGBHGIX-UHFFFAOYSA-N
MW289.43 g/mol
LogP3.13
Rot. Bonds4

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

3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79282728) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID79282728
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CCC1CCC(C)CC1
InChIInChI=1S/C16H27N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-9-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H2,17,18)
InChIKeyXTWKVIMUGBHGIX-UHFFFAOYSA-N
XLogP3.13
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine (CID 79282728) is 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CCC1CCC(C)CC1.
What is the InChIKey of 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is XTWKVIMUGBHGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-9-12-7-5-11(2)6-8-12/h11-12H,4-10H2,1-3H3,(H2,17,18).
What are the key properties of 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 289.43 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-6-[2-(4-methylcyclohexyl)ethyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79282728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).