5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C30H32N4O2 — CID 16678566

About 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 16678566) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 16678566
• Molecular Formula: C30H32N4O2
• Molecular Weight: 480.61 g/mol
• Exact Mass: 480.25
• IUPAC Name: 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CC(C)c1ccc(N(Cc2cnn(Cc3ccccn3)c2)C(=O)C2CCCc3c(O)cccc32)cc1
• InChI: InChI=1S/C30H32N4O2/c1-21(2)23-12-14-25(15-13-23)34(19-22-17-32-33(18-22)20-24-7-3-4-16-31-24)30(36)28-10-5-9-27-26(28)8-6-11-29(27)35/h3-4,6-8,11-18,21,28,35H,5,9-10,19-20H2,1-2H3
• InChIKey: VZOZDKHRWNWGCZ-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 71.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.61
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 16678566) is 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CC(C)c1ccc(N(Cc2cnn(Cc3ccccn3)c2)C(=O)C2CCCc3c(O)cccc32)cc1.

What is the InChIKey of 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is VZOZDKHRWNWGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-21(2)23-12-14-25(15-13-23)34(19-22-17-32-33(18-22)20-24-7-3-4-16-31-24)30(36)28-10-5-9-27-26(28)8-6-11-29(27)35/h3-4,6-8,11-18,21,28,35H,5,9-10,19-20H2,1-2H3.

What are the key properties of 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-N-(4-propan-2-ylphenyl)-N-[[1-(pyridin-2-ylmethyl)pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 16678566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).