2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

C56H96N16 — CID 157377687

IUPAC2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)c(C)n1.Cc1cnn(C(C)C)c1.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C9H16N2.2C8H14N2.C7H12N2.4C6H10N2/c1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-5-7(3)9-8(10)4;1-6(2)10-8(4)5-7(3)9-10;1-6(2)9-5-7(3)4-8-9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyBKMVMWUQAQYAQF-UHFFFAOYSA-N
MW993.50 g/mol
LogP14.32
Rot. Bonds8

About 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole

2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (PubChem CID 157377687) has the molecular formula C56H96N16 and a molecular weight of 993.50 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
PubChem CID157377687
Molecular FormulaC56H96N16
Molecular Weight993.50 g/mol
Exact Mass992.80
IUPAC Name2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)c(C)n1.Cc1cnn(C(C)C)c1.Cc1nn(C(C)C)c(C)c1C
InChIInChI=1S/C9H16N2.2C8H14N2.C7H12N2.4C6H10N2/c1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-5-7(3)9-8(10)4;1-6(2)10-8(4)5-7(3)9-10;1-6(2)9-5-7(3)4-8-9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyBKMVMWUQAQYAQF-UHFFFAOYSA-N
XLogP14.32
TPSA164.28 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.50
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

4-[3-[2-(1H-imidazol-5-yl)imidazol-1-yl]propyl]-3,5-dimethyl-1H-pyrazole
CID 70736676
1,4-dimethylpyrazole;1,5-dimethylpyrazole;4,5-dimethyl-1H-pyrazole;2-ethyl-1-methylimidazole;4-methyl-1H-pyrazole;1-methylpyrrole;4-methyl-5-(trifluoromethyl)-1H-pyrazole;3,4,5-trimethyl-1H-pyrazole
CID 160303902
3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-1-ethyl-5-methylpyrazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-5-methyl-1H-pyrazole;4-tert-butyl-2-methyltriazole;3-tert-butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 162107385
2-tert-butyl-1,5-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;tris(1-tert-butyl-4,5-dimethylpyrazole);bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-1-methylimidazole;tris(1-tert-butyl-4-methylpyrazole);bis(1-tert-butyl-5-methylpyrazole);2-tert-butyl-4-methyltriazole;3-tert-butyl-4-methyl-1,2,4-triazole;tris(3-tert-butyl-5-methyl-1H-1,2,4-triazole);5-tert-butyl-1-methyl-1,2,4-triazole;bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;2-tert-butyltriazole;bis(5-tert-butyl-1H-1,2,4-triazole);1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165008652
2-tert-butyl-1,5-dimethylimidazole;4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,4-dimethylimidazole;bis(1-tert-butyl-4,5-dimethylpyrazole);5-tert-butyl-2,4-dimethyl-3H-pyrrole;bis(3-tert-butyl-4,5-dimethyl-1,2,4-triazole);5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butyl-3-methylpyrazole;bis(1-tert-butyl-4-methylpyrazole);1-tert-butyl-5-methylpyrazole;5-tert-butyl-2-methyl-3H-pyrrole;5-tert-butyl-4-methyl-3H-pyrrole;3-tert-butyl-4-methyl-1,2,4-triazole;bis(3-tert-butyl-5-methyl-1H-1,2,4-triazole);bis(1-tert-butyl-4-methyl-5-(trifluoromethyl)pyrazole);1-tert-butylpyrazole;5-tert-butyl-3H-pyrrole;5-tert-butyl-1H-1,2,4-triazole;1-tert-butyl-3-(trifluoromethyl)pyrazole;1-tert-butyl-5-(trifluoromethyl)pyrazole
CID 165099595
4-bromo-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-chloro-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;4-cyclopropyl-5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;5-cyclopropyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole;5-(difluoromethyl)-3-(1-fluoroethyl)-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 167597585
1-cyclopropyl-5-propan-2-ylpyrazole;1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole;1,5-di(propan-2-yl)imidazole;bis(1,5-di(propan-2-yl)pyrazole);1-ethyl-5-propan-2-ylpyrazole;1-(1-fluorobutan-2-yl)-5-propan-2-ylpyrazole;4-fluoro-1,5-di(propan-2-yl)pyrazole;1-(1-fluoroethyl)-5-propan-2-ylpyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;1-methyl-2-propan-2-ylimidazole;5-methyl-4-propan-2-yl-1-propylpyrazole;bis(1-methyl-5-propan-2-ylpyrazole);tris(4-propan-2-yl-1-propylpyrazole);5-propan-2-yl-1-(trideuteriomethyl)pyrazole;5-propan-2-yl-1-(trifluoromethyl)pyrazole;5-propan-2-yl-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole;3-propan-2-yl-1-(3,3,3-trifluoropropyl)pyrazole
CID 168383567
1-(2,2-difluoroethyl)-5-methyl-4-propan-2-ylpyrazole;1-(difluoromethyl)-5-propan-2-ylpyrazole;1-(1,3-difluoropropan-2-yl)-5-propan-2-ylpyrazole;1,5-di(propan-2-yl)imidazole;bis(1,5-di(propan-2-yl)pyrazole);1-ethyl-5-propan-2-ylpyrazole;4-fluoro-1,5-di(propan-2-yl)pyrazole;3-methyl-1,5-di(propan-2-yl)pyrazole;5-methyl-4-propan-2-yl-1-propylpyrazole;tris(1-methyl-5-propan-2-ylpyrazole);3-propan-2-yl-1-propylpyrazole;tris(4-propan-2-yl-1-propylpyrazole);5-propan-2-yl-1-[(2S)-1,1,1-trifluoropropan-2-yl]pyrazole
CID 168399562
2'-butyl-1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H,1'H-2,4'-biimidazole
CID 56863124
5-tert-butyl-2-[2-imidazol-1-yl-2,5-dimethyl-5-(1H-pyrazol-5-yl)hexyl]-1H-imidazole
CID 126680914
1-[3-[1-[3-(5-methyl-1H-pyrazol-3-yl)butyl]imidazol-4-yl]butyl]-3-propan-2-yl-1,2,4-triazole
CID 132145995
2-[5-(1H-imidazol-5-yl)-2,5-dimethylhexan-2-yl]-5-[2-methyl-2-(1H-pyrazol-5-yl)propyl]-1H-imidazole
CID 132171379

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole (CID 157377687) is 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is CC(C)c1ccn[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.Cc1cc(C)n(C(C)C)n1.Cc1cn(C(C)C)c(C)n1.Cc1cnn(C(C)C)c1.Cc1nn(C(C)C)c(C)c1C.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
The InChIKey is BKMVMWUQAQYAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C8H14N2.C7H12N2.4C6H10N2/c1-6(2)11-9(5)7(3)8(4)10-11;1-6(2)10-5-7(3)9-8(10)4;1-6(2)10-8(4)5-7(3)9-10;1-6(2)9-5-7(3)4-8-9;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6/h6H,1-5H3;2*5-6H,1-4H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole?
2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole has a molecular weight of 993.50 g/mol, XLogP of 14.32, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylimidazole;3,5-dimethyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3,4,5-trimethyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 157377687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).