1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine

C56H90N8O — CID 158992557

IUPAC1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccon1.CC(C)(C)Cn1cccn1.Cc1cc(C)n(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2.3C10H15N.C8H14N2.C8H13NO/c1-8-6-9(2)12(11-8)7-10(3,4)5;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-10-6-4-5-9-10;1-8(2,3)6-7-4-5-10-9-7/h6H,7H2,1-5H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyJQIMXCAOXNSSPS-UHFFFAOYSA-N
MW891.39 g/mol
LogP14.75
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine

1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine (PubChem CID 158992557) has the molecular formula C56H90N8O and a molecular weight of 891.39 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
PubChem CID158992557
Molecular FormulaC56H90N8O
Molecular Weight891.39 g/mol
Exact Mass890.72
IUPAC Name1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine
SMILESCC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccon1.CC(C)(C)Cn1cccn1.Cc1cc(C)n(CC(C)(C)C)n1
InChIInChI=1S/C10H18N2.3C10H15N.C8H14N2.C8H13NO/c1-8-6-9(2)12(11-8)7-10(3,4)5;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-10-6-4-5-9-10;1-8(2,3)6-7-4-5-10-9-7/h6H,7H2,1-5H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3
InChIKeyJQIMXCAOXNSSPS-UHFFFAOYSA-N
XLogP14.75
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.39
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine (CID 158992557) is 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine is CC(C)(C)Cc1ccccn1.CC(C)(C)Cc1cccnc1.CC(C)(C)Cc1ccncc1.CC(C)(C)Cc1ccon1.CC(C)(C)Cn1cccn1.Cc1cc(C)n(CC(C)(C)C)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?
The InChIKey is JQIMXCAOXNSSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.3C10H15N.C8H14N2.C8H13NO/c1-8-6-9(2)12(11-8)7-10(3,4)5;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-10(2,3)8-9-6-4-5-7-11-9;1-8(2,3)7-10-6-4-5-9-10;1-8(2,3)6-7-4-5-10-9-7/h6H,7H2,1-5H3;4-7H,8H2,1-3H3;4-6,8H,7H2,1-3H3;4-7H,8H2,1-3H3;4-6H,7H2,1-3H3;4-5H,6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine?
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine has a molecular weight of 891.39 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole;3-(2,2-dimethylpropyl)-1,2-oxazole;1-(2,2-dimethylpropyl)pyrazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)pyridine is sourced from PubChem (CID 158992557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).