2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

C19H25N5O2 — CID 135092513

IUPAC2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2nc[nH]c2C)cc1Cn1cccn1
InChIInChI=1S/C19H25N5O2/c1-15-18(21-14-20-15)13-23(8-9-25)11-16-4-5-19(26-2)17(10-16)12-24-7-3-6-22-24/h3-7,10,14,25H,8-9,11-13H2,1-2H3,(H,20,21)
InChIKeyHWDJLNPRVLPHAG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.97
Rot. Bonds9

About 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol

2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (PubChem CID 135092513) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
PubChem CID135092513
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
SMILESCOc1ccc(CN(CCO)Cc2nc[nH]c2C)cc1Cn1cccn1
InChIInChI=1S/C19H25N5O2/c1-15-18(21-14-20-15)13-23(8-9-25)11-16-4-5-19(26-2)17(10-16)12-24-7-3-6-22-24/h3-7,10,14,25H,8-9,11-13H2,1-2H3,(H,20,21)
InChIKeyHWDJLNPRVLPHAG-UHFFFAOYSA-N
XLogP1.97
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol with MolForge

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Related Compounds

2-[2,3-dihydro-1-benzofuran-5-ylmethyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol
CID 135119953
1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-N-methyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)methanamine
CID 74233779
(4R)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-N,2,2-trimethyloxan-4-amine
CID 99929184
4-[(dimethylamino)methyl]-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]azepan-4-ol
CID 56909684
2-[5-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-4-phenylimidazol-1-yl]ethanol
CID 50977500
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-(3-methylphenyl)piperidin-4-ol
CID 46965834
2-[(4-methoxy-3-methylphenyl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol
CID 135120698
2-[(4-fluorophenyl)methyl-[(2-methoxyphenyl)methyl]amino]ethanol
CID 110932160
2-(1H-indol-3-yl)-N-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 19624915
6-[4-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 131909865

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol (CID 135092513) is 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is COc1ccc(CN(CCO)Cc2nc[nH]c2C)cc1Cn1cccn1.
What is the InChIKey of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
The InChIKey is HWDJLNPRVLPHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-15-18(21-14-20-15)13-23(8-9-25)11-16-4-5-19(26-2)17(10-16)12-24-7-3-6-22-24/h3-7,10,14,25H,8-9,11-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol?
2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol has a molecular weight of 355.44 g/mol, XLogP of 1.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl-[(5-methyl-1H-imidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 135092513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).