3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C105H96F6N32O11S — CID 159238700

About 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 159238700) has the molecular formula C105H96F6N32O11S and a molecular weight of 2128.19 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

• Compound Name: 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• PubChem CID: 159238700
• Molecular Formula: C105H96F6N32O11S
• Molecular Weight: 2128.19 g/mol
• Exact Mass: 2126.76
• IUPAC Name: 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
• SMILES: CC(OCC1CC1)C(=O)CC1=NN=C(c2ccccn2)C1.COc1cc(C(=O)CC2=NN=C(c3ccccn3)C2)ccc1OCC(C)=O.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(Cc2ncccn2)c1
• InChI: InChI=1S/C20H19N3O4.C19H15N7O.C18H13F3N8O.C16H12F3N5O2.C16H18N6OS.C16H19N3O2/c1-13(24)12-27-19-7-6-14(9-20(19)26-2)18(25)11-15-10-17(23-22-15)16-5-3-4-8-21-16;27-18(24-19-23-17(25-26-19)15-7-1-2-8-20-15)14-6-3-5-13(11-14)12-16-21-9-4-10-22-16;1-10-12(9-24-29(10)14-6-5-11(8-23-14)18(19,20)21)16(30)26-17-25-15(27-28-17)13-4-2-3-7-22-13;17-16(18,19)26-11-6-4-10(5-7-11)9-13(25)21-15-22-14(23-24-15)12-3-1-2-8-20-12;1-9(2)8-12-18-10(3)13(24-12)15(23)20-16-19-14(21-22-16)11-6-4-5-7-17-11;1-11(21-10-12-5-6-12)16(20)9-13-8-15(19-18-13)14-4-2-3-7-17-14/h3-9H,10-12H2,1-2H3;1-11H,12H2,(H2,23,24,25,26,27);2-9H,1H3,(H2,25,26,27,28,30);1-8H,9H2,(H2,21,22,23,24,25);4-7,9H,8H2,1-3H3,(H2,19,20,21,22,23);2-4,7,11-12H,5-6,8-10H2,1H3
• InChIKey: KTUIEMYRBLMUSO-UHFFFAOYSA-N
• XLogP: 16.84
• TPSA: 566.97 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 34
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.19
LogP ≤ 5	16.84
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The IUPAC name of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 159238700) is 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

What is the SMILES notation for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The canonical SMILES for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is CC(OCC1CC1)C(=O)CC1=NN=C(c2ccccn2)C1.COc1cc(C(=O)CC2=NN=C(c3ccccn3)C2)ccc1OCC(C)=O.Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)cnn1-c1ccc(C(F)(F)F)cn1.Cc1nc(CC(C)C)sc1C(=O)Nc1n[nH]c(-c2ccccn2)n1.O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1.O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(Cc2ncccn2)c1.

What is the InChIKey of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

The InChIKey is KTUIEMYRBLMUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4.C19H15N7O.C18H13F3N8O.C16H12F3N5O2.C16H18N6OS.C16H19N3O2/c1-13(24)12-27-19-7-6-14(9-20(19)26-2)18(25)11-15-10-17(23-22-15)16-5-3-4-8-21-16;27-18(24-19-23-17(25-26-19)15-7-1-2-8-20-15)14-6-3-5-13(11-14)12-16-21-9-4-10-22-16;1-10-12(9-24-29(10)14-6-5-11(8-23-14)18(19,20)21)16(30)26-17-25-15(27-28-17)13-4-2-3-7-22-13;17-16(18,19)26-11-6-4-10(5-7-11)9-13(25)21-15-22-14(23-24-15)12-3-1-2-8-20-12;1-9(2)8-12-18-10(3)13(24-12)15(23)20-16-19-14(21-22-16)11-6-4-5-7-17-11;1-11(21-10-12-5-6-12)16(20)9-13-8-15(19-18-13)14-4-2-3-7-17-14/h3-9H,10-12H2,1-2H3;1-11H,12H2,(H2,23,24,25,26,27);2-9H,1H3,(H2,25,26,27,28,30);1-8H,9H2,(H2,21,22,23,24,25);4-7,9H,8H2,1-3H3,(H2,19,20,21,22,23);2-4,7,11-12H,5-6,8-10H2,1H3.

What are the key properties of 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?

3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 2128.19 g/mol, XLogP of 16.84, 34 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopropylmethoxy)-1-(5-pyridin-2-yl-4H-pyrazol-3-yl)butan-2-one;1-[2-methoxy-4-[2-(5-pyridin-2-yl-4H-pyrazol-3-yl)acetyl]phenoxy]propan-2-one;4-methyl-2-(2-methylpropyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide;5-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-3-(pyrimidin-2-ylmethyl)benzamide;N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 159238700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).