4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole

C119H134Cl2F14N19+ — CID 157282143

About 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole

4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 157282143) has the molecular formula C119H134Cl2F14N19+ and a molecular weight of 2167.39 g/mol. Its IUPAC name is 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
• PubChem CID: 157282143
• Molecular Formula: C119H134Cl2F14N19+
• Molecular Weight: 2167.39 g/mol
• Exact Mass: 2165.02
• IUPAC Name: 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole
• SMILES: CC(C)c1cc(-c2cnn(C)c2)ccc1F.CC(C)c1cc(F)c(F)c(-c2cnn(C)c2)c1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1.CC(C)c1ccc(-c2c[n+](C)[nH]c2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cnn(C)c2)c(C(F)F)c1.CC(C)c1ccc(-c2cnn(C)c2)c(Cl)c1.CC(C)c1ccc(-c2cnn(C)c2)cc1Cl.CC(C)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1.CC(C)c1ccc(-c2cnn(C)n2)cc1F
• InChI: InChI=1S/C14H14F4N2.C14H15F3N2.C14H16F2N2.2C13H15ClN2.C13H14F2N2.2C13H15FN2.C12H14FN3/c1-8(2)10-5-4-9(6-12(10)15)11-7-20(3)19-13(11)14(16,17)18;1-9(2)10-4-6-11(7-5-10)12-8-18-19(3)13(12)14(15,16)17;1-9(2)10-4-5-12(13(6-10)14(15)16)11-7-17-18(3)8-11;1-9(2)12-5-4-10(6-13(12)14)11-7-15-16(3)8-11;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-8(2)9-4-11(13(15)12(14)5-9)10-6-16-17(3)7-10;1-9(2)10-4-11(6-13(14)5-10)12-7-15-16(3)8-12;1-9(2)12-6-10(4-5-13(12)14)11-7-15-16(3)8-11;1-8(2)10-5-4-9(6-11(10)13)12-7-14-16(3)15-12/h4-8H,1-3H3;4-9H,1-3H3;4-9,14H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3/p+1
• InChIKey: WJOMTNSGHQTPHE-UHFFFAOYSA-O
• XLogP: 32.83
• TPSA: 175.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.39
LogP ≤ 5	32.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?

The IUPAC name of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole (CID 157282143) is 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole.

What is the SMILES notation for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?

The canonical SMILES for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole is CC(C)c1cc(-c2cnn(C)c2)ccc1F.CC(C)c1cc(F)c(F)c(-c2cnn(C)c2)c1.CC(C)c1cc(F)cc(-c2cnn(C)c2)c1.CC(C)c1ccc(-c2c[n+](C)[nH]c2C(F)(F)F)cc1F.CC(C)c1ccc(-c2cnn(C)c2)c(C(F)F)c1.CC(C)c1ccc(-c2cnn(C)c2)c(Cl)c1.CC(C)c1ccc(-c2cnn(C)c2)cc1Cl.CC(C)c1ccc(-c2cnn(C)c2C(F)(F)F)cc1.CC(C)c1ccc(-c2cnn(C)n2)cc1F.

What is the InChIKey of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?

The InChIKey is WJOMTNSGHQTPHE-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14F4N2.C14H15F3N2.C14H16F2N2.2C13H15ClN2.C13H14F2N2.2C13H15FN2.C12H14FN3/c1-8(2)10-5-4-9(6-12(10)15)11-7-20(3)19-13(11)14(16,17)18;1-9(2)10-4-6-11(7-5-10)12-8-18-19(3)13(12)14(15,16)17;1-9(2)10-4-5-12(13(6-10)14(15)16)11-7-17-18(3)8-11;1-9(2)12-5-4-10(6-13(12)14)11-7-15-16(3)8-11;1-9(2)10-4-5-12(13(14)6-10)11-7-15-16(3)8-11;1-8(2)9-4-11(13(15)12(14)5-9)10-6-16-17(3)7-10;1-9(2)10-4-11(6-13(14)5-10)12-7-15-16(3)8-12;1-9(2)12-6-10(4-5-13(12)14)11-7-15-16(3)8-11;1-8(2)10-5-4-9(6-11(10)13)12-7-14-16(3)15-12/h4-8H,1-3H3;4-9H,1-3H3;4-9,14H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3;2*4-9H,1-3H3;4-8H,1-3H3/p+1.

What are the key properties of 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole?

4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 2167.39 g/mol, XLogP of 32.83, 19 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-(3-chloro-4-propan-2-ylphenyl)-1-methylpyrazole;4-[2-(difluoromethyl)-4-propan-2-ylphenyl]-1-methylpyrazole;4-(2,3-difluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-5-propan-2-ylphenyl)-1-methylpyrazole;4-(4-fluoro-3-propan-2-ylphenyl)-1-methylpyrazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyltriazole;4-(3-fluoro-4-propan-2-ylphenyl)-2-methyl-5-(trifluoromethyl)-1H-pyrazol-2-ium;1-methyl-4-(4-propan-2-ylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 157282143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).