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

C19H25N5O — CID 135089012

IUPAC2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ccc(C)c(-c2[nH]ncc2CN(CCO)Cc2cnc(C)[nH]2)c1
InChIInChI=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)
InChIKeyOIQWCMYZGQXXEZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds7

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 Name2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
PubChem CID135089012
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
SMILESCc1ccc(C)c(-c2[nH]ncc2CN(CCO)Cc2cnc(C)[nH]2)c1
InChIInChI=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)
InChIKeyOIQWCMYZGQXXEZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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).