5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile

C150H175F3N22O6S3 — CID 159683851

About 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile

5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 159683851) has the molecular formula C150H175F3N22O6S3 and a molecular weight of 2535.39 g/mol. Its IUPAC name is 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

• Compound Name: 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
• PubChem CID: 159683851
• Molecular Formula: C150H175F3N22O6S3
• Molecular Weight: 2535.39 g/mol
• Exact Mass: 2533.32
• IUPAC Name: 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile
• SMILES: CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cnco2)cc1.CC(C)c1ccc(-c2csnn2)cc1.CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(-n2ncc(C#N)c2C(F)(F)F)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccc2cc(O)ccc2c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccn[nH]2)c1.CC(C)c1cccc(N2CCCCS2(=O)=O)c1.Cc1nnnn1-c1ccc(C(C)C)cc1.Cc1nnnn1-c1cccc(C(C)C)c1
• InChI: InChI=1S/C14H12F3N3.2C14H15N.2C13H19NO2S.C13H14O.2C12H14N2.C12H13NO.2C11H14N4.C11H12N2S/c1-9(2)10-3-5-12(6-4-10)20-13(14(15,16)17)11(7-18)8-19-20;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-17(14,15)16;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)10-4-6-11(7-5-10)15-9(3)12-13-14-15;1-8(2)10-5-4-6-11(7-10)15-9(3)12-13-14-15;1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11/h3-6,8-9H,1-2H3;2*3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-9,14H,1-2H3;3-10H,1-2H3;3-9H,1-2H3,(H,13,14);3-9H,1-2H3;2*4-8H,1-3H3;3-8H,1-2H3
• InChIKey: MVNQTVLAZISBGE-UHFFFAOYSA-N
• XLogP: 37.26
• TPSA: 347.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2535.39
LogP ≤ 5	37.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?

The IUPAC name of 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile (CID 159683851) is 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile.

What is the SMILES notation for 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?

The canonical SMILES for 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile is CC(C)c1ccc(-c2cccnc2)cc1.CC(C)c1ccc(-c2cnco2)cc1.CC(C)c1ccc(-c2csnn2)cc1.CC(C)c1ccc(-n2ccnc2)cc1.CC(C)c1ccc(-n2ncc(C#N)c2C(F)(F)F)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccc2cc(O)ccc2c1.CC(C)c1cccc(-c2cccnc2)c1.CC(C)c1cccc(-c2ccn[nH]2)c1.CC(C)c1cccc(N2CCCCS2(=O)=O)c1.Cc1nnnn1-c1ccc(C(C)C)cc1.Cc1nnnn1-c1cccc(C(C)C)c1.

What is the InChIKey of 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?

The InChIKey is MVNQTVLAZISBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3.2C14H15N.2C13H19NO2S.C13H14O.2C12H14N2.C12H13NO.2C11H14N4.C11H12N2S/c1-9(2)10-3-5-12(6-4-10)20-13(14(15,16)17)11(7-18)8-19-20;1-11(2)12-5-3-6-13(9-12)14-7-4-8-15-10-14;1-11(2)12-5-7-13(8-6-12)14-4-3-9-15-10-14;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-17(14,15)16;1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10;1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14;1-9(2)10-4-3-5-11(8-10)12-6-7-13-14-12;1-9(2)10-3-5-11(6-4-10)12-7-13-8-14-12;1-8(2)10-4-6-11(7-5-10)15-9(3)12-13-14-15;1-8(2)10-5-4-6-11(7-10)15-9(3)12-13-14-15;1-8(2)9-3-5-10(6-4-9)11-7-14-13-12-11/h3-6,8-9H,1-2H3;2*3-11H,1-2H3;3-6,11H,7-10H2,1-2H3;5-7,10-11H,3-4,8-9H2,1-2H3;3-9,14H,1-2H3;3-10H,1-2H3;3-9H,1-2H3,(H,13,14);3-9H,1-2H3;2*4-8H,1-3H3;3-8H,1-2H3.

What are the key properties of 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile?

5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 2535.39 g/mol, XLogP of 37.26, 23 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-(3-propan-2-ylphenyl)tetrazole;5-methyl-1-(4-propan-2-ylphenyl)tetrazole;6-propan-2-ylnaphthalen-2-ol;1-(4-propan-2-ylphenyl)imidazole;5-(4-propan-2-ylphenyl)-1,3-oxazole;5-(3-propan-2-ylphenyl)-1H-pyrazole;3-(3-propan-2-ylphenyl)pyridine;3-(4-propan-2-ylphenyl)pyridine;4-(4-propan-2-ylphenyl)thiadiazole;2-(3-propan-2-ylphenyl)thiazinane 1,1-dioxide;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide;1-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 159683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).