5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole

C13H22N4 — CID 135966200

IUPAC5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)Cn1ncc2[nH]c(CC(C)(C)C)nc21
InChIInChI=1S/C13H22N4/c1-9(2)8-17-12-10(7-14-17)15-11(16-12)6-13(3,4)5/h7,9H,6,8H2,1-5H3,(H,15,16)
InChIKeyBBDUAOZPSCIFMS-UHFFFAOYSA-N
MW234.35 g/mol
LogP3.00
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole

5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole (PubChem CID 135966200) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole
PubChem CID135966200
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole
SMILESCC(C)Cn1ncc2[nH]c(CC(C)(C)C)nc21
InChIInChI=1S/C13H22N4/c1-9(2)8-17-12-10(7-14-17)15-11(16-12)6-13(3,4)5/h7,9H,6,8H2,1-5H3,(H,15,16)
InChIKeyBBDUAOZPSCIFMS-UHFFFAOYSA-N
XLogP3.00
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole (CID 135966200) is 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole is CC(C)Cn1ncc2[nH]c(CC(C)(C)C)nc21.
What is the InChIKey of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole?
The InChIKey is BBDUAOZPSCIFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)8-17-12-10(7-14-17)15-11(16-12)6-13(3,4)5/h7,9H,6,8H2,1-5H3,(H,15,16).
What are the key properties of 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole?
5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole has a molecular weight of 234.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-1-(2-methylpropyl)-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135966200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).