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

C14H25N5O — CID 79305363

IUPAC6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(CCC)COC
InChIInChI=1S/C14H25N5O/c1-5-7-10(9-20-4)19-13-12(16-14(19)15)11(8-6-2)17-18(13)3/h10H,5-9H2,1-4H3,(H2,15,16)
InChIKeyLPJHJTGAYHZXEI-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.29
Rot. Bonds7

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

6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (PubChem CID 79305363) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.

Molecular Properties

Compound Name6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
PubChem CID79305363
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine
SMILESCCCc1nn(C)c2c1nc(N)n2C(CCC)COC
InChIInChI=1S/C14H25N5O/c1-5-7-10(9-20-4)19-13-12(16-14(19)15)11(8-6-2)17-18(13)3/h10H,5-9H2,1-4H3,(H2,15,16)
InChIKeyLPJHJTGAYHZXEI-UHFFFAOYSA-N
XLogP2.29
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The IUPAC name of 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine (CID 79305363) is 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine.
What is the SMILES notation for 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The canonical SMILES for 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is CCCc1nn(C)c2c1nc(N)n2C(CCC)COC.
What is the InChIKey of 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
The InChIKey is LPJHJTGAYHZXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-5-7-10(9-20-4)19-13-12(16-14(19)15)11(8-6-2)17-18(13)3/h10H,5-9H2,1-4H3,(H2,15,16).
What are the key properties of 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine?
6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine has a molecular weight of 279.39 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methoxypentan-2-yl)-1-methyl-3-propylimidazo[4,5-d]pyrazol-5-amine is sourced from PubChem (CID 79305363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).