N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

C106H100Cl2F3N25O10 — CID 159085811

About N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 159085811) has the molecular formula C106H100Cl2F3N25O10 and a molecular weight of 2012.03 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
• PubChem CID: 159085811
• Molecular Formula: C106H100Cl2F3N25O10
• Molecular Weight: 2012.03 g/mol
• Exact Mass: 2009.74
• IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
• SMILES: CC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.CN(C)CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1.O=C(NC(CO)c1ccc(Cl)cc1)c1cc(-c2ccncc2)n[nH]1.O=C(NC(CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1
• InChI: InChI=1S/C19H19FN4O2.C19H21N5O.C17H15ClN4O2.C17H15ClN4O.2C17H15FN4O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;1-24(2)13-18(14-6-4-3-5-7-14)21-19(25)17-12-16(22-23-17)15-8-10-20-11-9-15;18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;2*18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);3-12,18H,13H2,1-2H3,(H,21,25)(H,22,23);1-9,16,23H,10H2,(H,20,24)(H,21,22);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);2*1-9,16,23H,10H2,(H,20,24)(H,21,22)/t;;;;16-;/m....1./s1
• InChIKey: KBKXINXDJYLNIR-NSOQIOIVSA-N
• XLogP: 15.19
• TPSA: 508.18 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2012.03
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 159085811) is N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is CC(C)(O)C(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.CN(C)CC(NC(=O)c1cc(-c2ccncc2)n[nH]1)c1ccccc1.O=C(NC(CO)c1ccc(Cl)cc1)c1cc(-c2ccncc2)n[nH]1.O=C(NC(CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1.O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1.

What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

The InChIKey is KBKXINXDJYLNIR-NSOQIOIVSA-N. The full InChI is InChI=1S/C19H19FN4O2.C19H21N5O.C17H15ClN4O2.C17H15ClN4O.2C17H15FN4O2/c1-19(2,26)17(13-4-3-5-14(20)10-13)22-18(25)16-11-15(23-24-16)12-6-8-21-9-7-12;1-24(2)13-18(14-6-4-3-5-7-14)21-19(25)17-12-16(22-23-17)15-8-10-20-11-9-15;18-13-3-1-11(2-4-13)16(10-23)20-17(24)15-9-14(21-22-15)12-5-7-19-8-6-12;18-14-3-1-2-12(10-14)4-9-20-17(23)16-11-15(21-22-16)13-5-7-19-8-6-13;2*18-13-3-1-2-12(8-13)16(10-23)20-17(24)15-9-14(21-22-15)11-4-6-19-7-5-11/h3-11,17,26H,1-2H3,(H,22,25)(H,23,24);3-12,18H,13H2,1-2H3,(H,21,25)(H,22,23);1-9,16,23H,10H2,(H,20,24)(H,21,22);1-3,5-8,10-11H,4,9H2,(H,20,23)(H,21,22);2*1-9,16,23H,10H2,(H,20,24)(H,21,22)/t;;;;16-;/m....1./s1.

What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?

N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 2012.03 g/mol, XLogP of 15.19, 31 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[2-(dimethylamino)-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[1-(3-fluorophenyl)-2-hydroxy-2-methylpropyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 159085811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).