5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

C44H37F6N11O5 — CID 160535092

About 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine

5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (PubChem CID 160535092) has the molecular formula C44H37F6N11O5 and a molecular weight of 913.84 g/mol. Its IUPAC name is 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
• PubChem CID: 160535092
• Molecular Formula: C44H37F6N11O5
• Molecular Weight: 913.84 g/mol
• Exact Mass: 913.29
• IUPAC Name: 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine
• SMILES: Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C(F)(F)F.Cc1[nH]nc(C(=O)O)c1C(F)(F)F.Cc1cc(C(=O)O)n[nH]1.Nc1cnc2[nH]c(-c3ccccc3)cc2c1
• InChI: InChI=1S/C20H15F3N4O.C13H11N3.C6H5F3N2O2.C5H6N2O2/c1-11-17(20(21,22)23)18(27-26-11)16(28)8-12-7-14-9-15(25-19(14)24-10-12)13-5-3-2-4-6-13;14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9;1-2-3(6(7,8)9)4(5(12)13)11-10-2;1-3-2-4(5(8)9)7-6-3/h2-7,9-10H,8H2,1H3,(H,24,25)(H,26,27);1-8H,14H2,(H,15,16);1H3,(H,10,11)(H,12,13);2H,1H3,(H,6,7)(H,8,9)
• InChIKey: QWAXPUVQAPDSLP-UHFFFAOYSA-N
• XLogP: 9.37
• TPSA: 261.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	913.84
LogP ≤ 5	9.37
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The IUPAC name of 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine (CID 160535092) is 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine.

What is the SMILES notation for 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The canonical SMILES for 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccccc4)cc3c2)c1C(F)(F)F.Cc1[nH]nc(C(=O)O)c1C(F)(F)F.Cc1cc(C(=O)O)n[nH]1.Nc1cnc2[nH]c(-c3ccccc3)cc2c1.

What is the InChIKey of 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

The InChIKey is QWAXPUVQAPDSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O.C13H11N3.C6H5F3N2O2.C5H6N2O2/c1-11-17(20(21,22)23)18(27-26-11)16(28)8-12-7-14-9-15(25-19(14)24-10-12)13-5-3-2-4-6-13;14-11-6-10-7-12(16-13(10)15-8-11)9-4-2-1-3-5-9;1-2-3(6(7,8)9)4(5(12)13)11-10-2;1-3-2-4(5(8)9)7-6-3/h2-7,9-10H,8H2,1H3,(H,24,25)(H,26,27);1-8H,14H2,(H,15,16);1H3,(H,10,11)(H,12,13);2H,1H3,(H,6,7)(H,8,9).

What are the key properties of 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine?

5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine has a molecular weight of 913.84 g/mol, XLogP of 9.37, 7 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1H-pyrazole-3-carboxylic acid;5-methyl-4-(trifluoromethyl)-1H-pyrazole-3-carboxylic acid;1-[5-methyl-4-(trifluoromethyl)-1H-pyrazol-3-yl]-2-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-amine is sourced from PubChem (CID 160535092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).