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

C86H79Cl2FN20O8 — CID 158244456

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(Cl)c1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H18N4O2.C17H15ClN4O2.C17H15ClN4O.C17H15FN4O.C17H16N4O2/c1-12(13-3-5-15(24-2)6-4-13)20-18(23)17-11-16(21-22-17)14-7-9-19-10-8-14;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;2*1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h3-12H,1-2H3,(H,20,23)(H,21,22);1-9,16,23H,10H2,(H,20,24)(H,21,22);2*2-11H,1H3,(H,20,23)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t12-;16-;2*11-;16-/m11111/s1
InChIKeyGFYJPDMLLQEWRW-REDOOOGFSA-N
MW1610.61 g/mol
LogP14.21
Rot. Bonds23

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

N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 158244456) has the molecular formula C86H79Cl2FN20O8 and a molecular weight of 1610.61 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID158244456
Molecular FormulaC86H79Cl2FN20O8
Molecular Weight1610.61 g/mol
Exact Mass1608.58
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(Cl)c1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1
InChIInChI=1S/C18H18N4O2.C17H15ClN4O2.C17H15ClN4O.C17H15FN4O.C17H16N4O2/c1-12(13-3-5-15(24-2)6-4-13)20-18(23)17-11-16(21-22-17)14-7-9-19-10-8-14;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;2*1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h3-12H,1-2H3,(H,20,23)(H,21,22);1-9,16,23H,10H2,(H,20,24)(H,21,22);2*2-11H,1H3,(H,20,23)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t12-;16-;2*11-;16-/m11111/s1
InChIKeyGFYJPDMLLQEWRW-REDOOOGFSA-N
XLogP14.21
TPSA403.04 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms117
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001610.61
LogP ≤ 514.21
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide (CID 158244456) is N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(-c3ccncc3)n[nH]2)cc1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(Cl)c1.C[C@@H](NC(=O)c1cc(-c2ccncc2)n[nH]1)c1cccc(F)c1.O=C(N[C@H](CO)c1cccc(Cl)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1ccccc1)c1cc(-c2ccncc2)n[nH]1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is GFYJPDMLLQEWRW-REDOOOGFSA-N. The full InChI is InChI=1S/C18H18N4O2.C17H15ClN4O2.C17H15ClN4O.C17H15FN4O.C17H16N4O2/c1-12(13-3-5-15(24-2)6-4-13)20-18(23)17-11-16(21-22-17)14-7-9-19-10-8-14;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;2*1-11(13-3-2-4-14(18)9-13)20-17(23)16-10-15(21-22-16)12-5-7-19-8-6-12;22-11-16(12-4-2-1-3-5-12)19-17(23)15-10-14(20-21-15)13-6-8-18-9-7-13/h3-12H,1-2H3,(H,20,23)(H,21,22);1-9,16,23H,10H2,(H,20,24)(H,21,22);2*2-11H,1H3,(H,20,23)(H,21,22);1-10,16,22H,11H2,(H,19,23)(H,20,21)/t12-;16-;2*11-;16-/m11111/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 1610.61 g/mol, XLogP of 14.21, 23 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(3-fluorophenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 158244456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).