N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

C100H92F4N28O11 — CID 159164964

About N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (PubChem CID 159164964) has the molecular formula C100H92F4N28O11 and a molecular weight of 1938.01 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• PubChem CID: 159164964
• Molecular Formula: C100H92F4N28O11
• Molecular Weight: 1938.01 g/mol
• Exact Mass: 1936.74
• IUPAC Name: N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• SMILES: COc1cccc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.O=C(NCc1cccc(F)c1)Nc1cc(-c2ccncc2)[nH]n1.O=C(NCc1cccc(O)c1)Nc1cc(-c2ccncc2)[nH]n1.O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1cccc(F)c1)c1cnn(-c2ccncc2)c1.O=C(Nc1cc(-c2ccncc2)[nH]n1)NC(CO)c1cccc(F)c1
• InChI: InChI=1S/C17H16FN5O2.2C17H15FN4O2.C17H17N5O2.C16H14FN5O.C16H15N5O2/c18-13-3-1-2-12(8-13)15(10-24)20-17(25)21-16-9-14(22-23-16)11-4-6-19-7-5-11;18-14-3-1-2-12(8-14)16(11-23)21-17(24)13-9-20-22(10-13)15-4-6-19-7-5-15;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;1-24-14-4-2-3-12(9-14)11-19-17(23)20-16-10-15(21-22-16)13-5-7-18-8-6-13;17-13-3-1-2-11(8-13)10-19-16(23)20-15-9-14(21-22-15)12-4-6-18-7-5-12;22-13-3-1-2-11(8-13)10-18-16(23)19-15-9-14(20-21-15)12-4-6-17-7-5-12/h1-9,15,24H,10H2,(H3,20,21,22,23,25);1-10,16,23H,11H2,(H,21,24);1-9,16,23H,10H2,(H,20,24)(H,21,22);2-10H,11H2,1H3,(H3,19,20,21,22,23);1-9H,10H2,(H3,19,20,21,22,23);1-9,22H,10H2,(H3,18,19,20,21,23)/t;2*16-;;;/m.11.../s1
• InChIKey: KKYLVZQHSBQKMP-OVISGDJESA-N
• XLogP: 14.64
• TPSA: 551.43 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.01
LogP ≤ 5	14.64
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The IUPAC name of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (CID 159164964) is N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

What is the SMILES notation for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The canonical SMILES for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is COc1cccc(CNC(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.O=C(NCc1cccc(F)c1)Nc1cc(-c2ccncc2)[nH]n1.O=C(NCc1cccc(O)c1)Nc1cc(-c2ccncc2)[nH]n1.O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2ccncc2)n[nH]1.O=C(N[C@H](CO)c1cccc(F)c1)c1cnn(-c2ccncc2)c1.O=C(Nc1cc(-c2ccncc2)[nH]n1)NC(CO)c1cccc(F)c1.

What is the InChIKey of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The InChIKey is KKYLVZQHSBQKMP-OVISGDJESA-N. The full InChI is InChI=1S/C17H16FN5O2.2C17H15FN4O2.C17H17N5O2.C16H14FN5O.C16H15N5O2/c18-13-3-1-2-12(8-13)15(10-24)20-17(25)21-16-9-14(22-23-16)11-4-6-19-7-5-11;18-14-3-1-2-12(8-14)16(11-23)21-17(24)13-9-20-22(10-13)15-4-6-19-7-5-15;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;1-24-14-4-2-3-12(9-14)11-19-17(23)20-16-10-15(21-22-16)13-5-7-18-8-6-13;17-13-3-1-2-11(8-13)10-19-16(23)20-15-9-14(21-22-15)12-4-6-18-7-5-12;22-13-3-1-2-11(8-13)10-18-16(23)19-15-9-14(20-21-15)12-4-6-17-7-5-12/h1-9,15,24H,10H2,(H3,20,21,22,23,25);1-10,16,23H,11H2,(H,21,24);1-9,16,23H,10H2,(H,20,24)(H,21,22);2-10H,11H2,1H3,(H3,19,20,21,22,23);1-9H,10H2,(H3,19,20,21,22,23);1-9,22H,10H2,(H3,18,19,20,21,23)/t;2*16-;;;/m.11.../s1.

What are the key properties of N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea has a molecular weight of 1938.01 g/mol, XLogP of 14.64, 28 rotatable bonds, 19 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-pyridin-4-ylpyrazole-4-carboxamide;N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide;1-[1-(3-fluorophenyl)-2-hydroxyethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-fluorophenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-hydroxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 159164964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).