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

C12H19N5 — CID 113463957

IUPAC1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CC3C)c21
InChIInChI=1S/C12H19N5/c1-4-17-11-10(8(3)15-17)14-12(13)16(11)6-9-5-7(9)2/h7,9H,4-6H2,1-3H3,(H2,13,14)
InChIKeySNXPHEUTOMAZCO-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.80
Rot. Bonds3

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

1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine (PubChem CID 113463957) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
PubChem CID113463957
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine
SMILESCCn1nc(C)c2nc(N)n(CC3CC3C)c21
InChIInChI=1S/C12H19N5/c1-4-17-11-10(8(3)15-17)14-12(13)16(11)6-9-5-7(9)2/h7,9H,4-6H2,1-3H3,(H2,13,14)
InChIKeySNXPHEUTOMAZCO-UHFFFAOYSA-N
XLogP1.80
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-6-[(2-methylcyclohexyl)methyl]imidazo[4,5-d]pyrazol-5-amine
CID 79305208
6-(2-bicyclo[2.2.1]heptanylmethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79284544
1-ethyl-3-methyl-6-(oxolan-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79305608
6-(2,2-dimethylpropyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305690
6-(2-cyclopentylethyl)-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305342
6-cyclopentyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79304996
1-ethyl-6-(2-ethylsulfinylethyl)-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 113494979
6-tert-butyl-1-ethyl-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305542
5-(chloromethyl)-1-ethyl-3-methyl-6-[(2-methylcyclopentyl)methyl]imidazo[4,5-d]pyrazole
CID 107419723
1-ethyl-3-methyl-6-(1,3-thiazol-2-ylmethyl)imidazo[4,5-d]pyrazol-5-amine
CID 79304809
1-ethyl-3-methyl-6-[2-(1-methylpyrazol-3-yl)ethyl]imidazo[4,5-d]pyrazol-5-amine
CID 106105680
1-ethyl-6-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylimidazo[4,5-d]pyrazol-5-amine
CID 79305216

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine (CID 113463957) is 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine is CCn1nc(C)c2nc(N)n(CC3CC3C)c21.
What is the InChIKey of 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
The InChIKey is SNXPHEUTOMAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-17-11-10(8(3)15-17)14-12(13)16(11)6-9-5-7(9)2/h7,9H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine?
1-ethyl-3-methyl-6-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine has a molecular weight of 233.32 g/mol, XLogP of 1.80, 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-[(2-methylcyclopropyl)methyl]imidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 113463957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).