6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

C16H29N5 — CID 107816990

IUPAC6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCCC(CC)Cn1c(N)nc2c(CCC)nn(C)c21
InChIInChI=1S/C16H29N5/c1-5-8-10-12(7-3)11-21-15-14(18-16(21)17)13(9-6-2)19-20(15)4/h12H,5-11H2,1-4H3,(H2,17,18)
InChIKeyKWYXHAUVKHQXDJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.52
Rot. Bonds8

About 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine

6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 107816990) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID107816990
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCCC(CC)Cn1c(N)nc2c(CCC)nn(C)c21
InChIInChI=1S/C16H29N5/c1-5-8-10-12(7-3)11-21-15-14(18-16(21)17)13(9-6-2)19-20(15)4/h12H,5-11H2,1-4H3,(H2,17,18)
InChIKeyKWYXHAUVKHQXDJ-UHFFFAOYSA-N
XLogP3.52
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-(2-morpholin-4-ylethyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280959
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide
CID 79305288
3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305021
6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79305363
5-(2-ethylhexoxy)-1-methyl-3-propylpyrazol-4-amine
CID 66019695
3-(2-ethylhexyl)-7-methylimidazo[4,5-b]pyridin-2-amine
CID 107816967
3-ethyl-1-methyl-6-(2-piperidin-1-ylpropyl)imidazo[4,5-d]pyrazol-5-amine
CID 79280855
3-ethyl-6-(2-ethylhexyl)-1-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 107816899
1-methyl-6-(1-methylsulfonylpropan-2-yl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79305711
3-ethyl-1-methyl-6-(2-phenylpropyl)imidazo[4,5-d]pyrazol-5-amine
CID 104591885
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethyl-N-methylpropanamide
CID 103112220
6-(5-chloro-2-methylphenyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79281094

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 107816990) is 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCCC(CC)Cn1c(N)nc2c(CCC)nn(C)c21.
What is the InChIKey of 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is KWYXHAUVKHQXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-5-8-10-12(7-3)11-21-15-14(18-16(21)17)13(9-6-2)19-20(15)4/h12H,5-11H2,1-4H3,(H2,17,18).
What are the key properties of 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 291.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 107816990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).