1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole

C36H60N12 — CID 158772412

IUPAC1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/6C6H10N2/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;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/h2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIQAROSUYZMXQRH-UHFFFAOYSA-N
MW660.96 g/mol
LogP9.06
Rot. Bonds6

About 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole

1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole (PubChem CID 158772412) has the molecular formula C36H60N12 and a molecular weight of 660.96 g/mol. Its IUPAC name is 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole
PubChem CID158772412
Molecular FormulaC36H60N12
Molecular Weight660.96 g/mol
Exact Mass660.51
IUPAC Name1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole
SMILESCC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/6C6H10N2/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;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/h2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8)
InChIKeyIQAROSUYZMXQRH-UHFFFAOYSA-N
XLogP9.06
TPSA150.36 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.96
LogP ≤ 59.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole with MolForge

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Related Compounds

5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-4-methyl-1H-pyrazole
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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
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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
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5-[2-(3,4-dimethylpyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propyl]-1H-pyrazole
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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole?
The IUPAC name of 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole (CID 158772412) is 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole?
The canonical SMILES for 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole is CC(C)c1ccn[nH]1.CC(C)c1cn[nH]c1.CC(C)c1cnc[nH]1.CC(C)c1ncc[nH]1.CC(C)n1cccn1.CC(C)n1ccnc1.
What is the InChIKey of 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole?
The InChIKey is IQAROSUYZMXQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H10N2/c1-5(2)6-3-7-4-8-6;1-5(2)6-3-7-8-4-6;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/h2*3-5H,1-2H3,(H,7,8);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8).
What are the key properties of 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole?
1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole has a molecular weight of 660.96 g/mol, XLogP of 9.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 158772412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).