1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

C67H66Cl2F6N14O6 — CID 87691518

About 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea

1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (PubChem CID 87691518) has the molecular formula C67H66Cl2F6N14O6 and a molecular weight of 1348.25 g/mol. Its IUPAC name is 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
• PubChem CID: 87691518
• Molecular Formula: C67H66Cl2F6N14O6
• Molecular Weight: 1348.25 g/mol
• Exact Mass: 1346.46
• IUPAC Name: 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea
• SMILES: Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1CNC(=O)NC1CCCc2ccc(O)cc21.O=C(NCc1cc(C(F)(F)F)nn1-c1ncccn1)NC1CCCc2ccc(O)cc21.O=C(NCc1cc(C2CC2)nn1-c1cccc(Cl)c1)NC1CCCc2ccc(O)cc21
• InChI: InChI=1S/C24H25ClN4O2.C23H22ClF3N4O2.C20H19F3N6O2/c25-17-4-2-5-18(11-17)29-19(12-23(28-29)16-7-8-16)14-26-24(31)27-22-6-1-3-15-9-10-20(30)13-21(15)22;1-13-20(31(30-21(13)23(25,26)27)16-6-3-5-15(24)10-16)12-28-22(33)29-19-7-2-4-14-8-9-17(32)11-18(14)19;21-20(22,23)17-9-13(29(28-17)18-24-7-2-8-25-18)11-26-19(31)27-16-4-1-3-12-5-6-14(30)10-15(12)16/h2,4-5,9-13,16,22,30H,1,3,6-8,14H2,(H2,26,27,31);3,5-6,8-11,19,32H,2,4,7,12H2,1H3,(H2,28,29,33);2,5-10,16,30H,1,3-4,11H2,(H2,26,27,31)
• InChIKey: GLXPWHRICHCJSG-UHFFFAOYSA-N
• XLogP: 13.68
• TPSA: 263.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1348.25
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?

The IUPAC name of 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea (CID 87691518) is 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea.

What is the SMILES notation for 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?

The canonical SMILES for 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is Cc1c(C(F)(F)F)nn(-c2cccc(Cl)c2)c1CNC(=O)NC1CCCc2ccc(O)cc21.O=C(NCc1cc(C(F)(F)F)nn1-c1ncccn1)NC1CCCc2ccc(O)cc21.O=C(NCc1cc(C2CC2)nn1-c1cccc(Cl)c1)NC1CCCc2ccc(O)cc21.

What is the InChIKey of 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?

The InChIKey is GLXPWHRICHCJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2.C23H22ClF3N4O2.C20H19F3N6O2/c25-17-4-2-5-18(11-17)29-19(12-23(28-29)16-7-8-16)14-26-24(31)27-22-6-1-3-15-9-10-20(30)13-21(15)22;1-13-20(31(30-21(13)23(25,26)27)16-6-3-5-15(24)10-16)12-28-22(33)29-19-7-2-4-14-8-9-17(32)11-18(14)19;21-20(22,23)17-9-13(29(28-17)18-24-7-2-8-25-18)11-26-19(31)27-16-4-1-3-12-5-6-14(30)10-15(12)16/h2,4-5,9-13,16,22,30H,1,3,6-8,14H2,(H2,26,27,31);3,5-6,8-11,19,32H,2,4,7,12H2,1H3,(H2,28,29,33);2,5-10,16,30H,1,3-4,11H2,(H2,26,27,31).

What are the key properties of 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea?

1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea has a molecular weight of 1348.25 g/mol, XLogP of 13.68, 13 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-(3-chlorophenyl)-3-cyclopropylpyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-[[1-(3-chlorophenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea;1-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-[[1-pyrimidin-2-yl-3-(trifluoromethyl)pyrazol-5-yl]methyl]urea is sourced from PubChem (CID 87691518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).