2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

C19H25N5O — CID 135089012

About 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (PubChem CID 135089012) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

Molecular Properties

• Compound Name: 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• PubChem CID: 135089012
• Molecular Formula: C19H25N5O
• Molecular Weight: 339.44 g/mol
• Exact Mass: 339.21
• IUPAC Name: 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
• SMILES: Cc1ccc(C)c(-c2[nH]ncc2CN(CCO)Cc2cnc(C)[nH]2)c1
• InChI: InChI=1S/C19H25N5O/c1-13-4-5-14(2)18(8-13)19-16(9-21-23-19)11-24(6-7-25)12-17-10-20-15(3)22-17/h4-5,8-10,25H,6-7,11-12H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: OIQWCMYZGQXXEZ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 80.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.44
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The IUPAC name of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol (CID 135089012) is 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol.

What is the SMILES notation for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The canonical SMILES for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is Cc1ccc(C)c(-c2[nH]ncc2CN(CCO)Cc2cnc(C)[nH]2)c1.

What is the InChIKey of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

The InChIKey is OIQWCMYZGQXXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-4-5-14(2)18(8-13)19-16(9-21-23-19)11-24(6-7-25)12-17-10-20-15(3)22-17/h4-5,8-10,25H,6-7,11-12H2,1-3H3,(H,20,22)(H,21,23).

What are the key properties of 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol?

2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol has a molecular weight of 339.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol is sourced from PubChem (CID 135089012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).