5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol

C20H27N3O2 — CID 75475581

IUPAC5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC2CCCc3cn(C4CCCC4)nc32)cc1O
InChIInChI=1S/C20H27N3O2/c1-25-19-10-9-14(11-18(19)24)12-21-17-8-4-5-15-13-23(22-20(15)17)16-6-2-3-7-16/h9-11,13,16-17,21,24H,2-8,12H2,1H3
InChIKeyQEUDCQMEEUPQGJ-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.88
Rot. Bonds5

About 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol

5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol (PubChem CID 75475581) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol
PubChem CID75475581
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNC2CCCc3cn(C4CCCC4)nc32)cc1O
InChIInChI=1S/C20H27N3O2/c1-25-19-10-9-14(11-18(19)24)12-21-17-8-4-5-15-13-23(22-20(15)17)16-6-2-3-7-16/h9-11,13,16-17,21,24H,2-8,12H2,1H3
InChIKeyQEUDCQMEEUPQGJ-UHFFFAOYSA-N
XLogP3.88
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol (CID 75475581) is 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol is COc1ccc(CNC2CCCc3cn(C4CCCC4)nc32)cc1O.
What is the InChIKey of 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol?
The InChIKey is QEUDCQMEEUPQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-25-19-10-9-14(11-18(19)24)12-21-17-8-4-5-15-13-23(22-20(15)17)16-6-2-3-7-16/h9-11,13,16-17,21,24H,2-8,12H2,1H3.
What are the key properties of 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol?
5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol has a molecular weight of 341.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 75475581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).