4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide

C35H47N3O3 — CID 135329936

About 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 135329936) has the molecular formula C35H47N3O3 and a molecular weight of 557.78 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide
• PubChem CID: 135329936
• Molecular Formula: C35H47N3O3
• Molecular Weight: 557.78 g/mol
• Exact Mass: 557.36
• IUPAC Name: 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2CCC(CN(C(=O)C3CCC(C)(O)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C
• InChI: InChI=1S/C35H47N3O3/c1-24(2)38-23-31(21-36-38)29-7-6-8-32(20-29)37(34(39)28-15-17-35(4,40)18-16-28)22-26-9-11-27(12-10-26)30-13-14-33(41-5)25(3)19-30/h6-8,13-14,19-21,23-24,26-28,40H,9-12,15-18,22H2,1-5H3
• InChIKey: OLEXKXYEASHSOA-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.78
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The IUPAC name of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide (CID 135329936) is 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide is COc1ccc(C2CCC(CN(C(=O)C3CCC(C)(O)CC3)c3cccc(-c4cnn(C(C)C)c4)c3)CC2)cc1C.

What is the InChIKey of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

The InChIKey is OLEXKXYEASHSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H47N3O3/c1-24(2)38-23-31(21-36-38)29-7-6-8-32(20-29)37(34(39)28-15-17-35(4,40)18-16-28)22-26-9-11-27(12-10-26)30-13-14-33(41-5)25(3)19-30/h6-8,13-14,19-21,23-24,26-28,40H,9-12,15-18,22H2,1-5H3.

What are the key properties of 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide?

4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 557.78 g/mol, XLogP of 7.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-4-methyl-N-[3-(1-propan-2-ylpyrazol-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 135329936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).