1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

C23H32N6O — CID 86884903

About 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine

1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 86884903) has the molecular formula C23H32N6O and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
• PubChem CID: 86884903
• Molecular Formula: C23H32N6O
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.26
• IUPAC Name: 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
• SMILES: CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1cccc(Cn2ccnc2)c1
• InChI: InChI=1S/C23H32N6O/c1-18(2)22-21(23(27(3)26-22)29-9-11-30-12-10-29)15-25-14-19-5-4-6-20(13-19)16-28-8-7-24-17-28/h4-8,13,17-18,25H,9-12,14-16H2,1-3H3
• InChIKey: YPFDBUADBBOZND-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 60.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The IUPAC name of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 86884903) is 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

What is the SMILES notation for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The canonical SMILES for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is CC(C)c1nn(C)c(N2CCOCC2)c1CNCc1cccc(Cn2ccnc2)c1.

What is the InChIKey of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

The InChIKey is YPFDBUADBBOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O/c1-18(2)22-21(23(27(3)26-22)29-9-11-30-12-10-29)15-25-14-19-5-4-6-20(13-19)16-28-8-7-24-17-28/h4-8,13,17-18,25H,9-12,14-16H2,1-3H3.

What are the key properties of 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?

1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 408.55 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 86884903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).