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

C16H21N5 — CID 79279586

IUPAC3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N5/c1-5-13-14-15(20(4)19-13)21(16(17)18-14)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18)
InChIKeyMDJZVMUILSADRA-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.03
Rot. Bonds3

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

3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79279586) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79279586
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N5/c1-5-13-14-15(20(4)19-13)21(16(17)18-14)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18)
InChIKeyMDJZVMUILSADRA-UHFFFAOYSA-N
XLogP3.03
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine (CID 79279586) is 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2-c1ccc(C(C)C)cc1.
What is the InChIKey of 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is MDJZVMUILSADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-5-13-14-15(20(4)19-13)21(16(17)18-14)12-8-6-11(7-9-12)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18).
What are the key properties of 3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 3.03, 3 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-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79279586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).