1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol

C23H36N4O3 — CID 45233109

About 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol (PubChem CID 45233109) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol
• PubChem CID: 45233109
• Molecular Formula: C23H36N4O3
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.28
• IUPAC Name: 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol
• SMILES: COc1cc(CN(C)Cc2ccn[nH]2)ccc1OCC(O)CN(C)C1CCCCC1
• InChI: InChI=1S/C23H36N4O3/c1-26(15-19-11-12-24-25-19)14-18-9-10-22(23(13-18)29-3)30-17-21(28)16-27(2)20-7-5-4-6-8-20/h9-13,20-21,28H,4-8,14-17H2,1-3H3,(H,24,25)
• InChIKey: QYQOZEWQNGSMNK-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 73.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol (CID 45233109) is 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol.

What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol is COc1cc(CN(C)Cc2ccn[nH]2)ccc1OCC(O)CN(C)C1CCCCC1.

What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

The InChIKey is QYQOZEWQNGSMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-26(15-19-11-12-24-25-19)14-18-9-10-22(23(13-18)29-3)30-17-21(28)16-27(2)20-7-5-4-6-8-20/h9-13,20-21,28H,4-8,14-17H2,1-3H3,(H,24,25).

What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol?

1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol has a molecular weight of 416.57 g/mol, XLogP of 3.05, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[cyclohexyl(methyl)amino]-3-[2-methoxy-4-[[methyl(1H-pyrazol-5-ylmethyl)amino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45233109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).