4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole

C28H44FN11S — CID 158395822

About 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole

4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole (PubChem CID 158395822) has the molecular formula C28H44FN11S and a molecular weight of 585.80 g/mol. Its IUPAC name is 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole.

Molecular Properties

• Compound Name: 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole
• PubChem CID: 158395822
• Molecular Formula: C28H44FN11S
• Molecular Weight: 585.80 g/mol
• Exact Mass: 585.35
• IUPAC Name: 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole
• SMILES: C.Cc1ccn[nH]1.Cc1ccnn1C.Cc1nc[nH]c1C.Cc1ncsc1C.Cn1cc(F)cn1.Cn1cccn1
• InChI: InChI=1S/2C5H8N2.C5H7NS.C4H5FN2.2C4H6N2.CH4/c1-5-3-4-6-7(5)2;2*1-4-5(2)7-3-6-4;1-7-3-4(5)2-6-7;1-6-4-2-3-5-6;1-4-2-3-5-6-4;/h3-4H,1-2H3;3H,1-2H3,(H,6,7);3H,1-2H3;2-3H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);1H4
• InChIKey: GXNMINULPKJUDW-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 123.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	585.80
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole?

The IUPAC name of 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole (CID 158395822) is 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole.

What is the SMILES notation for 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole?

The canonical SMILES for 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole is C.Cc1ccn[nH]1.Cc1ccnn1C.Cc1nc[nH]c1C.Cc1ncsc1C.Cn1cc(F)cn1.Cn1cccn1.

What is the InChIKey of 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole?

The InChIKey is GXNMINULPKJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.C5H7NS.C4H5FN2.2C4H6N2.CH4/c1-5-3-4-6-7(5)2;2*1-4-5(2)7-3-6-4;1-7-3-4(5)2-6-7;1-6-4-2-3-5-6;1-4-2-3-5-6-4;/h3-4H,1-2H3;3H,1-2H3,(H,6,7);3H,1-2H3;2-3H,1H3;2-4H,1H3;2-3H,1H3,(H,5,6);1H4.

What are the key properties of 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole?

4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole has a molecular weight of 585.80 g/mol, XLogP of 5.85, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-1H-imidazole;1,5-dimethylpyrazole;4,5-dimethyl-1,3-thiazole;4-fluoro-1-methylpyrazole;methane;1-methylpyrazole;5-methyl-1H-pyrazole is sourced from PubChem (CID 158395822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).