1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

C111H120FN31O13 — CID 157314456

About 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea

1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (PubChem CID 157314456) has the molecular formula C111H120FN31O13 and a molecular weight of 2115.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• PubChem CID: 157314456
• Molecular Formula: C111H120FN31O13
• Molecular Weight: 2115.38 g/mol
• Exact Mass: 2113.97
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea
• SMILES: CC(NC(=O)Nc1cc(-c2ccncc2)[nH]n1)c1cccc(O)c1.COc1cccc(CN(C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCO)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CNC(=O)N(C)c2cc(-c3ccncc3)[nH]n2)c1.O=C(Nc1cc(-c2ccncc2)[nH]n1)NC(CCO)c1cccc(F)c1
• InChI: InChI=1S/C21H26N6O2.C19H21N5O3.C18H18FN5O2.2C18H19N5O2.C17H17N5O2/c1-26(2)11-12-27(15-16-5-4-6-18(13-16)29-3)21(28)23-20-14-19(24-25-20)17-7-9-22-10-8-17;1-27-16-4-2-3-14(11-16)13-24(9-10-25)19(26)21-18-12-17(22-23-18)15-5-7-20-8-6-15;19-14-3-1-2-13(10-14)15(6-9-25)21-18(26)22-17-11-16(23-24-17)12-4-7-20-8-5-12;1-23(12-13-4-3-5-15(10-13)25-2)18(24)20-17-11-16(21-22-17)14-6-8-19-9-7-14;1-23(17-11-16(21-22-17)14-6-8-19-9-7-14)18(24)20-12-13-4-3-5-15(10-13)25-2;1-11(13-3-2-4-14(23)9-13)19-17(24)20-16-10-15(21-22-16)12-5-7-18-8-6-12/h4-10,13-14H,11-12,15H2,1-3H3,(H2,23,24,25,28);2-8,11-12,25H,9-10,13H2,1H3,(H2,21,22,23,26);1-5,7-8,10-11,15,25H,6,9H2,(H3,21,22,23,24,26);3-11H,12H2,1-2H3,(H2,20,21,22,24);3-11H,12H2,1-2H3,(H,20,24)(H,21,22);2-11,23H,1H3,(H3,19,20,21,22,24)
• InChIKey: BDKSFJNUOSUGSL-UHFFFAOYSA-N
• XLogP: 17.47
• TPSA: 561.89 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 26
• Rotatable Bonds: 35
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.38
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea (CID 157314456) is 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is CC(NC(=O)Nc1cc(-c2ccncc2)[nH]n1)c1cccc(O)c1.COc1cccc(CN(C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCN(C)C)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CN(CCO)C(=O)Nc2cc(-c3ccncc3)[nH]n2)c1.COc1cccc(CNC(=O)N(C)c2cc(-c3ccncc3)[nH]n2)c1.O=C(Nc1cc(-c2ccncc2)[nH]n1)NC(CCO)c1cccc(F)c1.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

The InChIKey is BDKSFJNUOSUGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2.C19H21N5O3.C18H18FN5O2.2C18H19N5O2.C17H17N5O2/c1-26(2)11-12-27(15-16-5-4-6-18(13-16)29-3)21(28)23-20-14-19(24-25-20)17-7-9-22-10-8-17;1-27-16-4-2-3-14(11-16)13-24(9-10-25)19(26)21-18-12-17(22-23-18)15-5-7-20-8-6-15;19-14-3-1-2-13(10-14)15(6-9-25)21-18(26)22-17-11-16(23-24-17)12-4-7-20-8-5-12;1-23(12-13-4-3-5-15(10-13)25-2)18(24)20-17-11-16(21-22-17)14-6-8-19-9-7-14;1-23(17-11-16(21-22-17)14-6-8-19-9-7-14)18(24)20-12-13-4-3-5-15(10-13)25-2;1-11(13-3-2-4-14(23)9-13)19-17(24)20-16-10-15(21-22-16)12-5-7-18-8-6-12/h4-10,13-14H,11-12,15H2,1-3H3,(H2,23,24,25,28);2-8,11-12,25H,9-10,13H2,1H3,(H2,21,22,23,26);1-5,7-8,10-11,15,25H,6,9H2,(H3,21,22,23,24,26);3-11H,12H2,1-2H3,(H2,20,21,22,24);3-11H,12H2,1-2H3,(H,20,24)(H,21,22);2-11,23H,1H3,(H3,19,20,21,22,24).

What are the key properties of 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea?

1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea has a molecular weight of 2115.38 g/mol, XLogP of 17.47, 35 rotatable bonds, 17 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-fluorophenyl)-3-hydroxypropyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-(2-hydroxyethyl)-1-[(3-methoxyphenyl)methyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[1-(3-hydroxyphenyl)ethyl]-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;1-[(3-methoxyphenyl)methyl]-1-methyl-3-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea;3-[(3-methoxyphenyl)methyl]-1-methyl-1-(5-pyridin-4-yl-1H-pyrazol-3-yl)urea is sourced from PubChem (CID 157314456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).