1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol

C27H35N3O2 — CID 46029259

About 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol

1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol (PubChem CID 46029259) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol
• PubChem CID: 46029259
• Molecular Formula: C27H35N3O2
• Molecular Weight: 433.60 g/mol
• Exact Mass: 433.27
• IUPAC Name: 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol
• SMILES: CCCCC(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1
• InChI: InChI=1S/C27H35N3O2/c1-4-5-11-23(31)18-30(22-14-15-22)19-25-26(21-9-7-6-8-10-21)28-29(3)27(25)32-24-16-12-20(2)13-17-24/h6-10,12-13,16-17,22-23,31H,4-5,11,14-15,18-19H2,1-3H3
• InChIKey: FHNPWPJCGWUCAQ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 50.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.60
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol?

The IUPAC name of 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol (CID 46029259) is 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol.

What is the SMILES notation for 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol?

The canonical SMILES for 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol is CCCCC(O)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(C)cc1)C1CC1.

What is the InChIKey of 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol?

The InChIKey is FHNPWPJCGWUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-4-5-11-23(31)18-30(22-14-15-22)19-25-26(21-9-7-6-8-10-21)28-29(3)27(25)32-24-16-12-20(2)13-17-24/h6-10,12-13,16-17,22-23,31H,4-5,11,14-15,18-19H2,1-3H3.

What are the key properties of 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol?

1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol has a molecular weight of 433.60 g/mol, XLogP of 5.70, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclopropyl-[[1-methyl-5-(4-methylphenoxy)-3-phenylpyrazol-4-yl]methyl]amino]hexan-2-ol is sourced from PubChem (CID 46029259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).