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

C16H21N5 — CID 79283615

IUPAC1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(C(C)C)cc3)c21
InChIInChI=1S/C16H21N5/c1-5-20-15-14(11(4)19-20)18-16(17)21(15)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18)
InChIKeyZCRFJXOWTJLHCM-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.26
Rot. Bonds3

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

1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 79283615) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID79283615
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(-c3ccc(C(C)C)cc3)c21
InChIInChI=1S/C16H21N5/c1-5-20-15-14(11(4)19-20)18-16(17)21(15)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18)
InChIKeyZCRFJXOWTJLHCM-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine (CID 79283615) is 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(-c3ccc(C(C)C)cc3)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is ZCRFJXOWTJLHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-5-20-15-14(11(4)19-20)18-16(17)21(15)13-8-6-12(7-9-13)10(2)3/h6-10H,5H2,1-4H3,(H2,17,18).
What are the key properties of 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79283615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).