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

C16H21N5 — CID 104591885

IUPAC3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CC(C)c1ccccc1
InChIInChI=1S/C16H21N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,17,18)
InChIKeyNYQMDFNLRYDAIK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.72
Rot. Bonds4

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

3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine (PubChem CID 104591885) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
PubChem CID104591885
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
SMILESCCc1nn(C)c2c1nc(N)n2CC(C)c1ccccc1
InChIInChI=1S/C16H21N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,17,18)
InChIKeyNYQMDFNLRYDAIK-UHFFFAOYSA-N
XLogP2.72
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-1-methyl-6-(3-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279585
3-ethyl-1-methyl-6-(thiophen-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300537
3-ethyl-1-methyl-6-(1-pyridin-3-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299984
3-ethyl-1-methyl-6-(2-pyridin-4-ylethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79300470
3-ethyl-1-methyl-6-(4-propan-2-ylphenyl)imidazo[4,5-d]pyrazol-5-amine
CID 79279586
6-benzyl-5-(1-chloroethyl)-3-ethyl-1-methylimidazo[4,5-d]pyrazole
CID 79281467
1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 102906820
6-[(3-chlorophenyl)methyl]-3-ethyl-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299647
3-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79299715
3-ethyl-1-methyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79299850
3-ethyl-6-[1-(furan-2-yl)ethyl]-1-methylimidazo[4,5-d]pyrazol-5-amine
CID 79300400
3-ethyl-1-methyl-6-[1-(5-methylthiophen-2-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 79300681

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine (CID 104591885) is 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine is CCc1nn(C)c2c1nc(N)n2CC(C)c1ccccc1.
What is the InChIKey of 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is NYQMDFNLRYDAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-4-13-14-15(20(3)19-13)21(16(17)18-14)10-11(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,17,18).
What are the key properties of 3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine?
3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 283.38 g/mol, XLogP of 2.72, 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-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 104591885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).