1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone

C116H94F3N13O13 — CID 161330135

About 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone

1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone (PubChem CID 161330135) has the molecular formula C116H94F3N13O13 and a molecular weight of 1935.10 g/mol. Its IUPAC name is 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone
• PubChem CID: 161330135
• Molecular Formula: C116H94F3N13O13
• Molecular Weight: 1935.10 g/mol
• Exact Mass: 1933.70
• IUPAC Name: 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone
• SMILES: C=C(C)c1ccc(-n2ccc(-c3ccc(C(=O)O)cc3)n2)cc1.C=C(C)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.CC(=O)c1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.COc1ccc(-n2ccc(-c3ccc(C(C)=O)cc3)n2)cc1.Cn1ccc2cc(-n3ccc(-c4ccc(C(=O)O)cc4)n3)ccc21.O=C(O)c1cccc(-c2ccn(-c3ccc(OCc4ccccc4)cc3)n2)c1
• InChI: InChI=1S/C23H18N2O3.C19H15N3O2.2C19H16N2O2.C18H13F3N2O2.C18H16N2O2/c26-23(27)19-8-4-7-18(15-19)22-13-14-25(24-22)20-9-11-21(12-10-20)28-16-17-5-2-1-3-6-17;1-21-10-8-15-12-16(6-7-18(15)21)22-11-9-17(20-22)13-2-4-14(5-3-13)19(23)24;1-13(2)14-7-9-17(10-8-14)21-12-11-18(20-21)15-3-5-16(6-4-15)19(22)23;1-13(2)14-6-8-17(9-7-14)21-11-10-18(20-21)15-4-3-5-16(12-15)19(22)23;1-12(24)13-2-4-14(5-3-13)17-10-11-23(22-17)15-6-8-16(9-7-15)25-18(19,20)21;1-13(21)14-3-5-15(6-4-14)18-11-12-20(19-18)16-7-9-17(22-2)10-8-16/h1-15H,16H2,(H,26,27);2-12H,1H3,(H,23,24);2*3-12H,1H2,2H3,(H,22,23);2-11H,1H3;3-12H,1-2H3
• InChIKey: VLHOSOOANVEASP-UHFFFAOYSA-N
• XLogP: 25.48
• TPSA: 322.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.10
LogP ≤ 5	25.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone?

The IUPAC name of 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone (CID 161330135) is 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone.

What is the SMILES notation for 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone?

The canonical SMILES for 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone is C=C(C)c1ccc(-n2ccc(-c3ccc(C(=O)O)cc3)n2)cc1.C=C(C)c1ccc(-n2ccc(-c3cccc(C(=O)O)c3)n2)cc1.CC(=O)c1ccc(-c2ccn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.COc1ccc(-n2ccc(-c3ccc(C(C)=O)cc3)n2)cc1.Cn1ccc2cc(-n3ccc(-c4ccc(C(=O)O)cc4)n3)ccc21.O=C(O)c1cccc(-c2ccn(-c3ccc(OCc4ccccc4)cc3)n2)c1.

What is the InChIKey of 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone?

The InChIKey is VLHOSOOANVEASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3.C19H15N3O2.2C19H16N2O2.C18H13F3N2O2.C18H16N2O2/c26-23(27)19-8-4-7-18(15-19)22-13-14-25(24-22)20-9-11-21(12-10-20)28-16-17-5-2-1-3-6-17;1-21-10-8-15-12-16(6-7-18(15)21)22-11-9-17(20-22)13-2-4-14(5-3-13)19(23)24;1-13(2)14-7-9-17(10-8-14)21-12-11-18(20-21)15-3-5-16(6-4-15)19(22)23;1-13(2)14-6-8-17(9-7-14)21-11-10-18(20-21)15-4-3-5-16(12-15)19(22)23;1-12(24)13-2-4-14(5-3-13)17-10-11-23(22-17)15-6-8-16(9-7-15)25-18(19,20)21;1-13(21)14-3-5-15(6-4-14)18-11-12-20(19-18)16-7-9-17(22-2)10-8-16/h1-15H,16H2,(H,26,27);2-12H,1H3,(H,23,24);2*3-12H,1H2,2H3,(H,22,23);2-11H,1H3;3-12H,1-2H3.

What are the key properties of 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone?

1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone has a molecular weight of 1935.10 g/mol, XLogP of 25.48, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[1-(4-methoxyphenyl)pyrazol-3-yl]phenyl]ethanone;4-[1-(1-methylindol-5-yl)pyrazol-3-yl]benzoic acid;3-[1-(4-phenylmethoxyphenyl)pyrazol-3-yl]benzoic acid;3-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;4-[1-(4-prop-1-en-2-ylphenyl)pyrazol-3-yl]benzoic acid;1-[4-[1-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]phenyl]ethanone is sourced from PubChem (CID 161330135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).