2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide

C12H20N6O — CID 79305288

IUPAC2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide
SMILESCCCc1nn(C)c2c1nc(N)n2CC(=O)NCC
InChIInChI=1S/C12H20N6O/c1-4-6-8-10-11(17(3)16-8)18(12(13)15-10)7-9(19)14-5-2/h4-7H2,1-3H3,(H2,13,15)(H,14,19)
InChIKeyBXHBVHUBQSQPJY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.44
Rot. Bonds5

About 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide

2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide (PubChem CID 79305288) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide
PubChem CID79305288
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide
SMILESCCCc1nn(C)c2c1nc(N)n2CC(=O)NCC
InChIInChI=1S/C12H20N6O/c1-4-6-8-10-11(17(3)16-8)18(12(13)15-10)7-9(19)14-5-2/h4-7H2,1-3H3,(H2,13,15)(H,14,19)
InChIKeyBXHBVHUBQSQPJY-UHFFFAOYSA-N
XLogP0.44
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(chloromethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl]-N-ethylacetamide
CID 79304895
3-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79305021
1-methyl-6-(3-methyl-2-propan-2-ylbutyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 102906820
1-methyl-6-(2-morpholin-4-ylethyl)-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280959
6-(2-ethylhexyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 107816990
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethyl-N-methylpropanamide
CID 103112220
2-[6-(2-amino-2-oxoethyl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-yl]sulfanylacetic acid
CID 79282554
1-methyl-3-propyl-6-(thiophen-3-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304886
6-[(2-fluorophenyl)methyl]-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
CID 79280957
2-(5-amino-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylacetamide
CID 79297215
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,2,2-trimethylpropanamide
CID 106278600
3-(5-amino-3-ethyl-1-methylimidazo[4,5-d]pyrazol-6-yl)-N,N-dimethylpropanamide
CID 79299990

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide?
The IUPAC name of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide (CID 79305288) is 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide?
The canonical SMILES for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide is CCCc1nn(C)c2c1nc(N)n2CC(=O)NCC.
What is the InChIKey of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide?
The InChIKey is BXHBVHUBQSQPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-4-6-8-10-11(17(3)16-8)18(12(13)15-10)7-9(19)14-5-2/h4-7H2,1-3H3,(H2,13,15)(H,14,19).
What are the key properties of 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide?
2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide has a molecular weight of 264.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methyl-3-propylimidazo[4,5-d]pyrazol-6-yl)-N-ethylacetamide is sourced from PubChem (CID 79305288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).